N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C26H22ClFN2O3 — CID 17223887

IUPACN-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H22ClFN2O3/c27-20-8-11-23(22(16-20)24(31)17-4-2-1-3-5-17)29-25(32)18-12-14-30(15-13-18)26(33)19-6-9-21(28)10-7-19/h1-11,16,18H,12-15H2,(H,29,32)
InChIKeyMFDKKTJUZQBBET-UHFFFAOYSA-N
MW464.92 g/mol
LogP5.20
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 17223887) has the molecular formula C26H22ClFN2O3 and a molecular weight of 464.92 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID17223887
Molecular FormulaC26H22ClFN2O3
Molecular Weight464.92 g/mol
Exact Mass464.13
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H22ClFN2O3/c27-20-8-11-23(22(16-20)24(31)17-4-2-1-3-5-17)29-25(32)18-12-14-30(15-13-18)26(33)19-6-9-21(28)10-7-19/h1-11,16,18H,12-15H2,(H,29,32)
InChIKeyMFDKKTJUZQBBET-UHFFFAOYSA-N
XLogP5.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.92
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
N-(5-chloro-2-pyridinyl)-1-[2-(4-fluorobenzoyl)benzoyl]piperidine-4-carboxamide
CID 55924923
N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935002
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278
1-(4-fluorobenzoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17224013
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43000360
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
cis-(1R,2S)-2-[(2-benzoyl-4-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40548385
1-(4-fluorobenzoyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34757635

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 17223887) is N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide is O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is MFDKKTJUZQBBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN2O3/c27-20-8-11-23(22(16-20)24(31)17-4-2-1-3-5-17)29-25(32)18-12-14-30(15-13-18)26(33)19-6-9-21(28)10-7-19/h1-11,16,18H,12-15H2,(H,29,32).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 464.92 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).