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

C20H20ClFN2O2 — CID 113007278

IUPACN-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H20ClFN2O2/c1-13-11-16(21)5-6-18(13)23-19(25)14-7-9-24(10-8-14)20(26)15-3-2-4-17(22)12-15/h2-6,11-12,14H,7-10H2,1H3,(H,23,25)
InChIKeyGQDVGRUQAYINSH-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.28
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 113007278) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID113007278
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H20ClFN2O2/c1-13-11-16(21)5-6-18(13)23-19(25)14-7-9-24(10-8-14)20(26)15-3-2-4-17(22)12-15/h2-6,11-12,14H,7-10H2,1H3,(H,23,25)
InChIKeyGQDVGRUQAYINSH-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007362
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide (CID 113007278) is N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is GQDVGRUQAYINSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-13-11-16(21)5-6-18(13)23-19(25)14-7-9-24(10-8-14)20(26)15-3-2-4-17(22)12-15/h2-6,11-12,14H,7-10H2,1H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 4.28, 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-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).