N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide

C12H14ClFN2O — CID 108987923

IUPACN-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C12H14ClFN2O/c13-10-8-9(4-5-11(10)14)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyFGARZGCTUHNHNJ-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.50
Rot. Bonds1

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

N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 108987923) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
PubChem CID108987923
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C12H14ClFN2O/c13-10-8-9(4-5-11(10)14)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyFGARZGCTUHNHNJ-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 95711738
N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide
CID 7364521
N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide
CID 79155981
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(3-amino-4-chlorophenyl)azepane-1-carboxamide
CID 79152618
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
4-(azepane-1-carbonylamino)-2-chlorobenzenesulfonyl chloride
CID 2756575
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide (CID 108987923) is N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is FGARZGCTUHNHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-8-9(4-5-11(10)14)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 108987923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).