N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide

C24H19ClF3N3O3 — CID 168960254

IUPACN-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CN(C(=O)c2cc(-c3cc[nH]c(=O)c3)ccc2F)CC(F)(F)C1
InChIInChI=1S/C24H19ClF3N3O3/c25-17-2-1-3-18(10-17)30-22(33)16-11-24(27,28)13-31(12-16)23(34)19-8-14(4-5-20(19)26)15-6-7-29-21(32)9-15/h1-10,16H,11-13H2,(H,29,32)(H,30,33)
InChIKeyLVWLHKQDALFOEY-UHFFFAOYSA-N
MW489.88 g/mol
LogP4.57
Rot. Bonds4

About N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide

N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 168960254) has the molecular formula C24H19ClF3N3O3 and a molecular weight of 489.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide
PubChem CID168960254
Molecular FormulaC24H19ClF3N3O3
Molecular Weight489.88 g/mol
Exact Mass489.11
IUPAC NameN-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CN(C(=O)c2cc(-c3cc[nH]c(=O)c3)ccc2F)CC(F)(F)C1
InChIInChI=1S/C24H19ClF3N3O3/c25-17-2-1-3-18(10-17)30-22(33)16-11-24(27,28)13-31(12-16)23(34)19-8-14(4-5-20(19)26)15-6-7-29-21(32)9-15/h1-10,16H,11-13H2,(H,29,32)(H,30,33)
InChIKeyLVWLHKQDALFOEY-UHFFFAOYSA-N
XLogP4.57
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.88
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide
CID 168960228
N-[3-chloro-5-(trifluoromethoxy)phenyl]-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide
CID 168960258
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
(3R)-1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 97044178
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 7900097
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3S)-N-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2235300

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide (CID 168960254) is N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CN(C(=O)c2cc(-c3cc[nH]c(=O)c3)ccc2F)CC(F)(F)C1.
What is the InChIKey of N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is LVWLHKQDALFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O3/c25-17-2-1-3-18(10-17)30-22(33)16-11-24(27,28)13-31(12-16)23(34)19-8-14(4-5-20(19)26)15-6-7-29-21(32)9-15/h1-10,16H,11-13H2,(H,29,32)(H,30,33).
What are the key properties of N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide?
N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 489.88 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 168960254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).