3-bromo-N-(3-methoxyphenyl)benzamide

C14H12BrNO2 — CID 795635

IUPAC3-bromo-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrNO2/c1-18-13-7-3-6-12(9-13)16-14(17)10-4-2-5-11(15)8-10/h2-9H,1H3,(H,16,17)
InChIKeyUOYLQQBGSIYQNW-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.71
Rot. Bonds3

About 3-bromo-N-(3-methoxyphenyl)benzamide

3-bromo-N-(3-methoxyphenyl)benzamide (PubChem CID 795635) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-bromo-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-methoxyphenyl)benzamide
PubChem CID795635
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-bromo-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrNO2/c1-18-13-7-3-6-12(9-13)16-14(17)10-4-2-5-11(15)8-10/h2-9H,1H3,(H,16,17)
InChIKeyUOYLQQBGSIYQNW-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(3-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-N-(3-methoxyphenyl)benzamide (CID 795635) is 3-bromo-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-(3-methoxyphenyl)benzamide?
The InChIKey is UOYLQQBGSIYQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-18-13-7-3-6-12(9-13)16-14(17)10-4-2-5-11(15)8-10/h2-9H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(3-methoxyphenyl)benzamide?
3-bromo-N-(3-methoxyphenyl)benzamide has a molecular weight of 306.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 795635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).