4-bromo-N-(5-chloro-2-methylphenyl)benzamide

C14H11BrClNO — CID 691019

IUPAC4-bromo-N-(5-chloro-2-methylphenyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO/c1-9-2-7-12(16)8-13(9)17-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,17,18)
InChIKeyPBVKVOYAZNRNAH-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.66
Rot. Bonds2

About 4-bromo-N-(5-chloro-2-methylphenyl)benzamide

4-bromo-N-(5-chloro-2-methylphenyl)benzamide (PubChem CID 691019) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-methylphenyl)benzamide
PubChem CID691019
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name4-bromo-N-(5-chloro-2-methylphenyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO/c1-9-2-7-12(16)8-13(9)17-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,17,18)
InChIKeyPBVKVOYAZNRNAH-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-(5-chloro-2-methylphenyl)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 4-bromo-N-(5-chloro-2-methylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-methylphenyl)benzamide (CID 691019) is 4-bromo-N-(5-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-methylphenyl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-chloro-2-methylphenyl)benzamide?
The InChIKey is PBVKVOYAZNRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-9-2-7-12(16)8-13(9)17-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(5-chloro-2-methylphenyl)benzamide?
4-bromo-N-(5-chloro-2-methylphenyl)benzamide has a molecular weight of 324.61 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 691019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).