5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide

C13H12BrClN2O — CID 103721969

IUPAC5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H12BrClN2O/c1-17-5-4-9(8-17)7-16-13(18)11-6-10(14)2-3-12(11)15/h2-6,8H,7H2,1H3,(H,16,18)
InChIKeyMAJQXFUJPIIGPR-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.37
Rot. Bonds3

About 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide

5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide (PubChem CID 103721969) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide
PubChem CID103721969
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H12BrClN2O/c1-17-5-4-9(8-17)7-16-13(18)11-6-10(14)2-3-12(11)15/h2-6,8H,7H2,1H3,(H,16,18)
InChIKeyMAJQXFUJPIIGPR-UHFFFAOYSA-N
XLogP3.37
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide 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

5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103722044
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide
CID 103722013
5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide
CID 47204861
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103722339
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
2-bromo-N-[(1-methylpyrrol-3-yl)methyl]-3-nitrobenzamide
CID 106547494
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide (CID 103721969) is 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide is Cn1ccc(CNC(=O)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
The InChIKey is MAJQXFUJPIIGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-17-5-4-9(8-17)7-16-13(18)11-6-10(14)2-3-12(11)15/h2-6,8H,7H2,1H3,(H,16,18).
What are the key properties of 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide has a molecular weight of 327.61 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide is sourced from PubChem (CID 103721969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).