N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C20H20ClFN2O2 — CID 46650461

IUPACN-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H20ClFN2O2/c1-13-4-7-16(21)11-18(13)23-19(25)15-3-2-10-24(12-15)20(26)14-5-8-17(22)9-6-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,23,25)
InChIKeyFWGKOZPALLATGE-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.28
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 46650461) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID46650461
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H20ClFN2O2/c1-13-4-7-16(21)11-18(13)23-19(25)15-3-2-10-24(12-15)20(26)14-5-8-17(22)9-6-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,23,25)
InChIKeyFWGKOZPALLATGE-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

(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 93069842
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55782726
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921606
(3S)-N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9272798
N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513744
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 46650461) is N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is FWGKOZPALLATGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-13-4-7-16(21)11-18(13)23-19(25)15-3-2-10-24(12-15)20(26)14-5-8-17(22)9-6-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-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-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46650461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).