2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide

C13H16BrClN2O — CID 120554233

IUPAC2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H16BrClN2O/c1-8-7-16-5-4-12(8)17-13(18)10-6-9(15)2-3-11(10)14/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyKMUUSXSOZNYYSO-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.83
Rot. Bonds2

About 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide

2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 120554233) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID120554233
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H16BrClN2O/c1-8-7-16-5-4-12(8)17-13(18)10-6-9(15)2-3-11(10)14/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyKMUUSXSOZNYYSO-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
CID 120556705
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120553451
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide (CID 120554233) is 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide is CC1CNCCC1NC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is KMUUSXSOZNYYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-8-7-16-5-4-12(8)17-13(18)10-6-9(15)2-3-11(10)14/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide?
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 331.64 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120554233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).