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

C12H14BrClN2O — CID 104914354

IUPAC(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)[C@H]1CCCCN1
InChIInChI=1S/C12H14BrClN2O/c13-9-7-8(14)4-5-10(9)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)/t11-/m1/s1
InChIKeyACXVZPJGMNSLPK-LLVKDONJSA-N
MW317.61 g/mol
LogP3.18
Rot. Bonds2

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

(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide (PubChem CID 104914354) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is (2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
PubChem CID104914354
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)[C@H]1CCCCN1
InChIInChI=1S/C12H14BrClN2O/c13-9-7-8(14)4-5-10(9)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)/t11-/m1/s1
InChIKeyACXVZPJGMNSLPK-LLVKDONJSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 28939511
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide
CID 43704356
5-chloro-2-(pyrrolidine-2-carbonylamino)benzoic acid
CID 61157828
N-[4-chloro-2-(diaminomethylidenecarbamoyl)phenyl]piperidine-2-carboxamide
CID 146033506
N-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
CID 66680324

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide (CID 104914354) is (2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1Br)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide?
The InChIKey is ACXVZPJGMNSLPK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-9-7-8(14)4-5-10(9)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide?
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide has a molecular weight of 317.61 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104914354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).