N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

C25H23F2N3O2 — CID 112772245

IUPACN-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C25H23F2N3O2/c26-18-10-11-20(21(27)16-18)25(32)30-14-12-17(13-15-30)24(31)29-23-9-5-4-8-22(23)28-19-6-2-1-3-7-19/h1-11,16-17,28H,12-15H2,(H,29,31)
InChIKeyOHFBSJVXOZQMSY-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.20
Rot. Bonds5

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

N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 112772245) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID112772245
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC NameN-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C25H23F2N3O2/c26-18-10-11-20(21(27)16-18)25(32)30-14-12-17(13-15-30)24(31)29-23-9-5-4-8-22(23)28-19-6-2-1-3-7-19/h1-11,16-17,28H,12-15H2,(H,29,31)
InChIKeyOHFBSJVXOZQMSY-UHFFFAOYSA-N
XLogP5.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
1-(2,4-difluorobenzoyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55375404
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 112772245) is N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccccc1Nc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is OHFBSJVXOZQMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c26-18-10-11-20(21(27)16-18)25(32)30-14-12-17(13-15-30)24(31)29-23-9-5-4-8-22(23)28-19-6-2-1-3-7-19/h1-11,16-17,28H,12-15H2,(H,29,31).
What are the key properties of N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 112772245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).