2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide

C20H19ClF4N2OS — CID 69071911

IUPAC2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3Cl)c2C(F)(F)F)CC1
InChIInChI=1S/C20H19ClF4N2OS/c1-27-9-7-13(8-10-27)29-17-4-2-3-16(18(17)20(23,24)25)26-19(28)14-6-5-12(22)11-15(14)21/h2-6,11,13H,7-10H2,1H3,(H,26,28)
InChIKeyDPUJXOYGKWGRNZ-UHFFFAOYSA-N
MW446.90 g/mol
LogP5.94
Rot. Bonds4

About 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide

2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 69071911) has the molecular formula C20H19ClF4N2OS and a molecular weight of 446.90 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide
PubChem CID69071911
Molecular FormulaC20H19ClF4N2OS
Molecular Weight446.90 g/mol
Exact Mass446.08
IUPAC Name2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3Cl)c2C(F)(F)F)CC1
InChIInChI=1S/C20H19ClF4N2OS/c1-27-9-7-13(8-10-27)29-17-4-2-3-16(18(17)20(23,24)25)26-19(28)14-6-5-12(22)11-15(14)21/h2-6,11,13H,7-10H2,1H3,(H,26,28)
InChIKeyDPUJXOYGKWGRNZ-UHFFFAOYSA-N
XLogP5.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.90
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(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

2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 58997345
5-[(2-chloro-4-fluorobenzoyl)amino]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 112834232
2-chloro-4-fluoro-N-naphthalen-1-ylbenzamide
CID 26087324
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392
N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
CID 55900045
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride
CID 69074598
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide (CID 69071911) is 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide is CN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3Cl)c2C(F)(F)F)CC1.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DPUJXOYGKWGRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N2OS/c1-27-9-7-13(8-10-27)29-17-4-2-3-16(18(17)20(23,24)25)26-19(28)14-6-5-12(22)11-15(14)21/h2-6,11,13H,7-10H2,1H3,(H,26,28).
What are the key properties of 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide?
2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 446.90 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 69071911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).