2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide

C22H19BrN2O3 — CID 4282811

IUPAC2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-2-28-18-13-11-17(12-14-18)24-21(26)15-7-9-16(10-8-15)25-22(27)19-5-3-4-6-20(19)23/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyNZLZEIUZVZUUDV-UHFFFAOYSA-N
MW439.31 g/mol
LogP5.35
Rot. Bonds6

About 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide

2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 4282811) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID4282811
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-2-28-18-13-11-17(12-14-18)24-21(26)15-7-9-16(10-8-15)25-22(27)19-5-3-4-6-20(19)23/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyNZLZEIUZVZUUDV-UHFFFAOYSA-N
XLogP5.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]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 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide (CID 4282811) is 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1.
What is the InChIKey of 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is NZLZEIUZVZUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-2-28-18-13-11-17(12-14-18)24-21(26)15-7-9-16(10-8-15)25-22(27)19-5-3-4-6-20(19)23/h3-14H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide?
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 439.31 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 4282811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).