2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide

C23H18F4N2O2S — CID 55765716

IUPAC2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H18F4N2O2S/c1-32-13-14-6-8-15(9-7-14)21(30)29-20-11-10-16(12-18(20)23(25,26)27)28-22(31)17-4-2-3-5-19(17)24/h2-12H,13H2,1H3,(H,28,31)(H,29,30)
InChIKeyFAUPFAHHAYTIGH-UHFFFAOYSA-N
MW462.47 g/mol
LogP6.21
Rot. Bonds6

About 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide

2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 55765716) has the molecular formula C23H18F4N2O2S and a molecular weight of 462.47 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID55765716
Molecular FormulaC23H18F4N2O2S
Molecular Weight462.47 g/mol
Exact Mass462.10
IUPAC Name2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H18F4N2O2S/c1-32-13-14-6-8-15(9-7-14)21(30)29-20-11-10-16(12-18(20)23(25,26)27)28-22(31)17-4-2-3-5-19(17)24/h2-12H,13H2,1H3,(H,28,31)(H,29,30)
InChIKeyFAUPFAHHAYTIGH-UHFFFAOYSA-N
XLogP6.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]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

N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765297
2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765240
N-[4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765682
N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765550
2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765236
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 112831169
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765741

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide (CID 55765716) is 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide is CSCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FAUPFAHHAYTIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O2S/c1-32-13-14-6-8-15(9-7-14)21(30)29-20-11-10-16(12-18(20)23(25,26)27)28-22(31)17-4-2-3-5-19(17)24/h2-12H,13H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 462.47 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55765716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).