3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide

C15H12BrCl2NO2 — CID 107953670

IUPAC3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H12BrCl2NO2/c1-21-14-4-2-3-13(18)12(14)8-19-15(20)9-5-10(16)7-11(17)6-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyAYGZFUXKRICZMG-UHFFFAOYSA-N
MW389.08 g/mol
LogP4.69
Rot. Bonds4

About 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide

3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide (PubChem CID 107953670) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide
PubChem CID107953670
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC Name3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H12BrCl2NO2/c1-21-14-4-2-3-13(18)12(14)8-19-15(20)9-5-10(16)7-11(17)6-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyAYGZFUXKRICZMG-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.08
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)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

N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
CID 103292678
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103528255
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 103826531
N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037030
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide (CID 107953670) is 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide is COc1cccc(Cl)c1CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide?
The InChIKey is AYGZFUXKRICZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-21-14-4-2-3-13(18)12(14)8-19-15(20)9-5-10(16)7-11(17)6-9/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide?
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide has a molecular weight of 389.08 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 107953670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).