3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide

C15H13BrClNO2 — CID 1277630

IUPAC3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1Br
InChIInChI=1S/C15H13BrClNO2/c1-2-20-14-8-7-10(9-11(14)16)15(19)18-13-6-4-3-5-12(13)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyIGCWUPXNUGNKTI-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.75
Rot. Bonds4

About 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide

3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide (PubChem CID 1277630) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide
PubChem CID1277630
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1Br
InChIInChI=1S/C15H13BrClNO2/c1-2-20-14-8-7-10(9-11(14)16)15(19)18-13-6-4-3-5-12(13)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyIGCWUPXNUGNKTI-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide 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-(2-chlorophenyl)-4-ethoxybenzamide?
The IUPAC name of 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide (CID 1277630) is 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide?
The canonical SMILES for 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1Br.
What is the InChIKey of 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide?
The InChIKey is IGCWUPXNUGNKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-2-20-14-8-7-10(9-11(14)16)15(19)18-13-6-4-3-5-12(13)17/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide?
3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide has a molecular weight of 354.63 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide is sourced from PubChem (CID 1277630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).