N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide

C20H19ClF2N2O2 — CID 113007286

IUPACN-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H19ClF2N2O2/c1-12-10-15(21)3-5-18(12)24-19(26)13-6-8-25(9-7-13)20(27)14-2-4-16(22)17(23)11-14/h2-5,10-11,13H,6-9H2,1H3,(H,24,26)
InChIKeyIPOLVFPXRFTNQW-UHFFFAOYSA-N
MW392.83 g/mol
LogP4.42
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 113007286) has the molecular formula C20H19ClF2N2O2 and a molecular weight of 392.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID113007286
Molecular FormulaC20H19ClF2N2O2
Molecular Weight392.83 g/mol
Exact Mass392.11
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H19ClF2N2O2/c1-12-10-15(21)3-5-18(12)24-19(26)13-6-8-25(9-7-13)20(27)14-2-4-16(22)17(23)11-14/h2-5,10-11,13H,6-9H2,1H3,(H,24,26)
InChIKeyIPOLVFPXRFTNQW-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide 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-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513744
N-(4-bromo-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223908
1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9495612
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide (CID 113007286) is N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is IPOLVFPXRFTNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O2/c1-12-10-15(21)3-5-18(12)24-19(26)13-6-8-25(9-7-13)20(27)14-2-4-16(22)17(23)11-14/h2-5,10-11,13H,6-9H2,1H3,(H,24,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 392.83 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).