N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide

C12H14BrClN2O — CID 81272029

IUPACN-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)N1CCCCC1
InChIInChI=1S/C12H14BrClN2O/c13-10-8-9(14)4-5-11(10)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyGPZFMQAMMLRKOX-UHFFFAOYSA-N
MW317.61 g/mol
LogP4.12
Rot. Bonds1

About N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide

N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide (PubChem CID 81272029) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
PubChem CID81272029
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC NameN-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)N1CCCCC1
InChIInChI=1S/C12H14BrClN2O/c13-10-8-9(14)4-5-11(10)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyGPZFMQAMMLRKOX-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(azocane-1-carbonylamino)-4-chlorobenzoic acid
CID 61200042
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide
CID 112730281
1-[(2-bromo-4-chlorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 81281422
N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide
CID 79156263
N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
CID 107610837
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
CID 78954514
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 81273796
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
(2-bromo-4-chlorophenyl)urea
CID 81003362

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide (CID 81272029) is N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1Br)N1CCCCC1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is GPZFMQAMMLRKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-10-8-9(14)4-5-11(10)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-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide?
N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 317.61 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 81272029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).