N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide

C22H15ClF4N2O2S — CID 23098202

IUPACN-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C22H15ClF4N2O2S/c23-14-3-10-19(18(11-14)22(25,26)27)29-20(30)12-32-17-8-6-16(7-9-17)28-21(31)13-1-4-15(24)5-2-13/h1-11H,12H2,(H,28,31)(H,29,30)
InChIKeyYSBHHAOFULXCCE-UHFFFAOYSA-N
MW482.89 g/mol
LogP6.48
Rot. Bonds6

About N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide

N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide (PubChem CID 23098202) has the molecular formula C22H15ClF4N2O2S and a molecular weight of 482.89 g/mol. Its IUPAC name is N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
PubChem CID23098202
Molecular FormulaC22H15ClF4N2O2S
Molecular Weight482.89 g/mol
Exact Mass482.05
IUPAC NameN-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C22H15ClF4N2O2S/c23-14-3-10-19(18(11-14)22(25,26)27)29-20(30)12-32-17-8-6-16(7-9-17)28-21(31)13-1-4-15(24)5-2-13/h1-11H,12H2,(H,28,31)(H,29,30)
InChIKeyYSBHHAOFULXCCE-UHFFFAOYSA-N
XLogP6.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.89
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide 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

N-[3-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 18904197
3-chloro-N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 23099959
N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23095262
2-(4-bromophenyl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 5140284
N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]pentanamide
CID 22781764
4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 22777816
4-methyl-N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 22781682
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-chloro-5-[[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 23095251
N-[(Z)-3-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22190071
N-[(Z)-3-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22189441
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide (CID 23098202) is N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide is O=C(CSc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide?
The InChIKey is YSBHHAOFULXCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N2O2S/c23-14-3-10-19(18(11-14)22(25,26)27)29-20(30)12-32-17-8-6-16(7-9-17)28-21(31)13-1-4-15(24)5-2-13/h1-11H,12H2,(H,28,31)(H,29,30).
What are the key properties of N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide?
N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide has a molecular weight of 482.89 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 23098202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).