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

C19H16ClF3N2O2 — CID 30992722

IUPACN-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H16ClF3N2O2/c20-14-2-1-3-16(17(14)23)24-18(26)11-6-8-25(9-7-11)19(27)13-5-4-12(21)10-15(13)22/h1-5,10-11H,6-9H2,(H,24,26)
InChIKeyPHHLKYJPQRESJX-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.25
Rot. Bonds3

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

N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 30992722) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID30992722
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC NameN-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H16ClF3N2O2/c20-14-2-1-3-16(17(14)23)24-18(26)11-6-8-25(9-7-11)19(27)13-5-4-12(21)10-15(13)22/h1-5,10-11H,6-9H2,(H,24,26)
InChIKeyPHHLKYJPQRESJX-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
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
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55376976
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 30992722) is N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is PHHLKYJPQRESJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c20-14-2-1-3-16(17(14)23)24-18(26)11-6-8-25(9-7-11)19(27)13-5-4-12(21)10-15(13)22/h1-5,10-11H,6-9H2,(H,24,26).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 396.80 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 30992722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).