4-bromo-2-chloro-N-piperidin-3-ylbenzamide

C12H14BrClN2O — CID 63321001

IUPAC4-bromo-2-chloro-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClN2O/c13-8-3-4-10(11(14)6-8)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyNZLSFTQWZPLKLA-UHFFFAOYSA-N
MW317.61 g/mol
LogP2.58
Rot. Bonds2

About 4-bromo-2-chloro-N-piperidin-3-ylbenzamide

4-bromo-2-chloro-N-piperidin-3-ylbenzamide (PubChem CID 63321001) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-piperidin-3-ylbenzamide
PubChem CID63321001
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name4-bromo-2-chloro-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClN2O/c13-8-3-4-10(11(14)6-8)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyNZLSFTQWZPLKLA-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-chloro-N-piperidin-3-ylbenzamide 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

N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-bromo-2-chloro-N-piperidin-3-ylbenzamide (CID 63321001) is 4-bromo-2-chloro-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-piperidin-3-ylbenzamide?
The InChIKey is NZLSFTQWZPLKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-8-3-4-10(11(14)6-8)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17).
What are the key properties of 4-bromo-2-chloro-N-piperidin-3-ylbenzamide?
4-bromo-2-chloro-N-piperidin-3-ylbenzamide has a molecular weight of 317.61 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 63321001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).