N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide

C12H14BrClN2O — CID 43347399

IUPACN-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C1CCCNC1
InChIInChI=1S/C12H14BrClN2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)
InChIKeyLWRYYUMIRZDROK-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.04
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide

N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide (PubChem CID 43347399) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
PubChem CID43347399
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC NameN-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C1CCCNC1
InChIInChI=1S/C12H14BrClN2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)
InChIKeyLWRYYUMIRZDROK-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
CID 81124120
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788537
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide (CID 43347399) is N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1Cl)C1CCCNC1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide?
The InChIKey is LWRYYUMIRZDROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17).
What are the key properties of N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide?
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide has a molecular weight of 317.61 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43347399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).