N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide

C12H14ClFN2O — CID 28969320

IUPACN-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C12H14ClFN2O/c13-9-2-1-3-10(11(9)14)16-12(17)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyWPJMOXUJFGJAJG-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.42
Rot. Bonds2

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

N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 28969320) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
PubChem CID28969320
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C12H14ClFN2O/c13-9-2-1-3-10(11(9)14)16-12(17)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyWPJMOXUJFGJAJG-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 28969312
N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626532
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807
N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119340819
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892616
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 43699228

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide (CID 28969320) is N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1F)C1CCNCC1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is WPJMOXUJFGJAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-9-2-1-3-10(11(9)14)16-12(17)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide?
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 28969320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).