N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide

C12H14BrClN2O — CID 112730281

IUPACN-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)N1CCCCC1
InChIInChI=1S/C12H14BrClN2O/c13-9-4-5-10(14)11(8-9)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyFVQYKZMTXUJVRU-UHFFFAOYSA-N
MW317.61 g/mol
LogP4.12
Rot. Bonds1

About N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide

N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide (PubChem CID 112730281) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide
PubChem CID112730281
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC NameN-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)N1CCCCC1
InChIInChI=1S/C12H14BrClN2O/c13-9-4-5-10(14)11(8-9)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyFVQYKZMTXUJVRU-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

Analyze N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepane-1-carbonylamino)-4-chlorobenzoic acid
CID 61188522
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
CID 81272029
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 72863358
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 40635770
1-[(2,5-dibromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 61468314
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
1-[(5-bromo-2-chlorophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744270
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrrolidine-1-carboxamide
CID 79161052

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide (CID 112730281) is N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide is O=C(Nc1cc(Br)ccc1Cl)N1CCCCC1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is FVQYKZMTXUJVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-9-4-5-10(14)11(8-9)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-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide?
N-(5-bromo-2-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-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 112730281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).