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

C19H16F4N2O2 — CID 78803404

IUPAC1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H16F4N2O2/c20-12-1-3-14(16(22)9-12)19(27)25-7-5-11(6-8-25)18(26)24-13-2-4-15(21)17(23)10-13/h1-4,9-11H,5-8H2,(H,24,26)
InChIKeyLOWCVPDBWRTBRB-UHFFFAOYSA-N
MW380.34 g/mol
LogP3.73
Rot. Bonds3

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

1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide (PubChem CID 78803404) has the molecular formula C19H16F4N2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
PubChem CID78803404
Molecular FormulaC19H16F4N2O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC Name1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H16F4N2O2/c20-12-1-3-14(16(22)9-12)19(27)25-7-5-11(6-8-25)18(26)24-13-2-4-15(21)17(23)10-13/h1-4,9-11H,5-8H2,(H,24,26)
InChIKeyLOWCVPDBWRTBRB-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 34776452
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 55717016
1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 46487334
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide (CID 78803404) is 1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
The InChIKey is LOWCVPDBWRTBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O2/c20-12-1-3-14(16(22)9-12)19(27)25-7-5-11(6-8-25)18(26)24-13-2-4-15(21)17(23)10-13/h1-4,9-11H,5-8H2,(H,24,26).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide has a molecular weight of 380.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 78803404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).