Cyproflanilide


PubChem CID 141746946
Molecular Formula C28H17BrF12N2O2
Structure Compound Image
Synonyms
cyproflanilide
Cyproflanilide [ISO]
2375110-88-4
P3D8S42HA2
Benzamide, N-(3-(((2-bromo-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-6-(trifluoromethyl)phenyl)amino)carbonyl)-2-fluorophenyl)-N-(cyclopropylmethyl)-4-fluoro-
N-(3-(((2-Bromo-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-6-(trifluoromethyl)phenyl)amino)carbonyl)-2-fluorophenyl)-N-(cyclopropylmethyl)-4-fluorobenzamide
N-(3-((2-Bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl)carbamoyl)-2-fluorophenyl)-N-(cyclopropylmethyl)-4-fluorobenzamide
N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-3-[N-(cyclopropylmethyl)-4-fluorobenzamido]-2-fluorobenzamide
3'-((6-Bromo-alpha,alpha,alpha-trifluoro-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)carbamoyl)-N-(cyclopropylmethyl)-2',4-difluorobenzanilide
3'-({6-bromo-alpha,alpha,alpha-trifluoro-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-o-tolyl}carbamoyl)-N-(cyclopropylmethyl)-2',4-difluorobenzanilide
N-[3-[[[2-bromo-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-6-(trifluoromethyl)phenyl]amino]carbonyl]-2-fluorophenyl]-N-(cyclopropylmethyl)-4-fluorobenzamide
UNII-P3D8S42HA2
SCHEMBL21705019
CAC-I-785
CHEBI:156471
WULALRGFFYJWOL-UHFFFAOYSA-N
DTXSID601337337
NS00133947
EN300-28333670
3'-((6-BROMO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-4-(1,2,2,2-TETRAFLUORO-1-(TRIFLUOROMETHYL)ETHYL)-O-TOLYL)CARBAMOYL)-N-(CYCLOPROPYLMETHYL)-2',4-DIFLUOROBENZANILIDE
N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-3-[(cyclopropylmethyl)(4-fluorobenzoyl)amino]-2-fluorobenzamide

Computed Descriptors


IUPAC Name N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-3-[cyclopropylmethyl-(4-fluorobenzoyl)amino]-2-fluorobenzamide
SMILES C1CC1CN(C2=CC=CC(=C2F)C(=O)NC3=C(C=C(C=C3Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(=O)C4=CC=C(C=C4)F
Canonical SMILES C1CC1CN(C2=CC=CC(=C2F)C(=O)NC3=C(C=C(C=C3Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(=O)C4=CC=C(C=C4)F
InChI InChI=1S/C28H17BrF12N2O2/c29-19-11-15(25(32,27(36,37)38)28(39,40)41)10-18(26(33,34)35)22(19)42-23(44)17-2-1-3-20(21(17)31)43(12-13-4-5-13)24(45)14-6-8-16(30)9-7-14/h1-3,6-11,13H,4-5,12H2,(H,42,44)
InChIKey WULALRGFFYJWOL-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 721.3 g/mol
XLogP3 8.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 7
Exact Mass 720.028
Monoisotopic Mass 720.028
Topological Polar Surface Area 49.4
Heavy Atom Count 45
Formal Charge 0
Complexity 1040
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

3 pairs of Verified P450 and Cyproflanilide


Insect Gene Symbol Validation Reference
Chilo suppressalis CYP4AU10 R
Chilo suppressalis CYP4G90 R
Spodoptera frugiperda CYP321A9 R