2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide

C20H22ClFN2O — CID 58138634

IUPAC2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide
SMILESC[C@@H]1C[C@H](Cc2cccc(NC(=O)c3ccc(F)cc3Cl)c2)CCN1
InChIInChI=1S/C20H22ClFN2O/c1-13-9-15(7-8-23-13)10-14-3-2-4-17(11-14)24-20(25)18-6-5-16(22)12-19(18)21/h2-6,11-13,15,23H,7-10H2,1H3,(H,24,25)/t13-,15-/m1/s1
InChIKeyAPJKMNUGRNDPJH-UKRRQHHQSA-N
MW360.86 g/mol
LogP4.66
Rot. Bonds4

About 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide

2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide (PubChem CID 58138634) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide
PubChem CID58138634
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide
SMILESC[C@@H]1C[C@H](Cc2cccc(NC(=O)c3ccc(F)cc3Cl)c2)CCN1
InChIInChI=1S/C20H22ClFN2O/c1-13-9-15(7-8-23-13)10-14-3-2-4-17(11-14)24-20(25)18-6-5-16(22)12-19(18)21/h2-6,11-13,15,23H,7-10H2,1H3,(H,24,25)/t13-,15-/m1/s1
InChIKeyAPJKMNUGRNDPJH-UKRRQHHQSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]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

tert-butyl (2S,4S)-4-[[3-[(2-chloro-4-fluorobenzoyl)amino]phenyl]methyl]-2-methylpiperidine-1-carboxylate
CID 58138727
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46569659
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride
CID 69074598
1-[[(2S,4S)-4-benzylpiperidin-2-yl]methyl]-3-(3-fluorophenyl)urea
CID 22966146
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[[3-(methylamino)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide
CID 145282625
2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 120905897
2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide
CID 31563304
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine
CID 143116457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide (CID 58138634) is 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide is C[C@@H]1C[C@H](Cc2cccc(NC(=O)c3ccc(F)cc3Cl)c2)CCN1.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide?
The InChIKey is APJKMNUGRNDPJH-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-13-9-15(7-8-23-13)10-14-3-2-4-17(11-14)24-20(25)18-6-5-16(22)12-19(18)21/h2-6,11-13,15,23H,7-10H2,1H3,(H,24,25)/t13-,15-/m1/s1.
What are the key properties of 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide?
2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide has a molecular weight of 360.86 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-[[(2R,4R)-2-methylpiperidin-4-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 58138634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).