4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide

C24H21Cl2F8NO3S — CID 130236642

IUPAC4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCC(CS(=O)(=O)CC(F)(F)F)NC(=O)c1ccc(/C=C/C(c2cc(Cl)cc(Cl)c2)C(C)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H21Cl2F8NO3S/c1-13(11-39(37,38)12-23(29,30)31)35-21(36)18-5-3-14(7-20(18)24(32,33)34)4-6-19(22(2,27)28)15-8-16(25)10-17(26)9-15/h3-10,13,19H,11-12H2,1-2H3,(H,35,36)/b6-4+
InChIKeyLZBBTZDVJLGMLM-GQCTYLIASA-N
MW626.39 g/mol
LogP7.56
Rot. Bonds9

About 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide

4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 130236642) has the molecular formula C24H21Cl2F8NO3S and a molecular weight of 626.39 g/mol. Its IUPAC name is 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID130236642
Molecular FormulaC24H21Cl2F8NO3S
Molecular Weight626.39 g/mol
Exact Mass625.05
IUPAC Name4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCC(CS(=O)(=O)CC(F)(F)F)NC(=O)c1ccc(/C=C/C(c2cc(Cl)cc(Cl)c2)C(C)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H21Cl2F8NO3S/c1-13(11-39(37,38)12-23(29,30)31)35-21(36)18-5-3-14(7-20(18)24(32,33)34)4-6-19(22(2,27)28)15-8-16(25)10-17(26)9-15/h3-10,13,19H,11-12H2,1-2H3,(H,35,36)/b6-4+
InChIKeyLZBBTZDVJLGMLM-GQCTYLIASA-N
XLogP7.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.39
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-3-[3-bromo-5-(2,2,2-trifluoroethoxy)phenyl]-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 130236390
4-[(E)-4,4-difluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-N-[(2R)-1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 130236604
(3S)-1-[4-[(E)-4,4-difluoro-3-(3,4,5-trichlorophenyl)pent-1-enyl]-2-(trifluoromethyl)phenyl]-3-methyl-4-(2,2,2-trifluoroethylsulfonyl)butan-1-one
CID 149487156
N-[1-(2,2,2-trifluoroethylsulfonyl)butan-2-yl]-2-(trifluoromethyl)-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
CID 130236347
N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
CID 130236564
4-[(Z)-3-(4-chloro-3,5-dimethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 130237456
(3S)-1-[2-bromo-4-[(E)-4,4-difluoro-3-(3,4,5-trichlorophenyl)pent-1-enyl]phenyl]-3-methyl-4-(2,2,2-trifluoroethylsulfonyl)butan-1-one
CID 159879806
N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)-4-[(Z)-1,4,4-trifluoro-3-(3,4,5-trichlorophenyl)hex-1-enyl]benzamide
CID 130237342
N-[(Z,2R)-5-methyl-4-oxohept-5-en-2-yl]-2-(trifluoromethyl)-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
CID 157406302
N-[(2R)-4-(2,2,2-trifluoroethylsulfinyl)butan-2-yl]-2-(trifluoromethyl)-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
CID 130236429
4-[(Z)-3-(3-chloro-4,5-difluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[(2R)-1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 130237492
4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 130237267

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide (CID 130236642) is 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide is CC(CS(=O)(=O)CC(F)(F)F)NC(=O)c1ccc(/C=C/C(c2cc(Cl)cc(Cl)c2)C(C)(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is LZBBTZDVJLGMLM-GQCTYLIASA-N. The full InChI is InChI=1S/C24H21Cl2F8NO3S/c1-13(11-39(37,38)12-23(29,30)31)35-21(36)18-5-3-14(7-20(18)24(32,33)34)4-6-19(22(2,27)28)15-8-16(25)10-17(26)9-15/h3-10,13,19H,11-12H2,1-2H3,(H,35,36)/b6-4+.
What are the key properties of 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?
4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 626.39 g/mol, XLogP of 7.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(3,5-dichlorophenyl)-4,4-difluoropent-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 130236642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).