1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C21H21ClF2N2O2 — CID 55779052

IUPAC1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C21H21ClF2N2O2/c22-16-5-6-19(24)17(13-16)21(28)26-11-8-15(9-12-26)20(27)25-10-7-14-3-1-2-4-18(14)23/h1-6,13,15H,7-12H2,(H,25,27)
InChIKeyGNQNKXFNDSUOIS-UHFFFAOYSA-N
MW406.86 g/mol
LogP3.83
Rot. Bonds5

About 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55779052) has the molecular formula C21H21ClF2N2O2 and a molecular weight of 406.86 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID55779052
Molecular FormulaC21H21ClF2N2O2
Molecular Weight406.86 g/mol
Exact Mass406.13
IUPAC Name1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C21H21ClF2N2O2/c22-16-5-6-19(24)17(13-16)21(28)26-11-8-15(9-12-26)20(27)25-10-7-14-3-1-2-4-18(14)23/h1-6,13,15H,7-12H2,(H,25,27)
InChIKeyGNQNKXFNDSUOIS-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 47057526
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 55622930
N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 75418635
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
N-[2-(2-fluorophenyl)ethyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide
CID 55779155

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 55779052) is 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is O=C(NCCc1ccccc1F)C1CCN(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is GNQNKXFNDSUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O2/c22-16-5-6-19(24)17(13-16)21(28)26-11-8-15(9-12-26)20(27)25-10-7-14-3-1-2-4-18(14)23/h1-6,13,15H,7-12H2,(H,25,27).
What are the key properties of 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 406.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55779052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).