2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide

C23H21BrN2O3 — CID 4944441

IUPAC2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Br)cc2)cc1C
InChIInChI=1S/C23H21BrN2O3/c1-15-7-10-18(13-16(15)2)25-23(28)20-5-3-4-6-21(20)26-22(27)14-29-19-11-8-17(24)9-12-19/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWHOFCFNHWACFAX-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.34
Rot. Bonds6

About 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide

2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide (PubChem CID 4944441) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
PubChem CID4944441
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Br)cc2)cc1C
InChIInChI=1S/C23H21BrN2O3/c1-15-7-10-18(13-16(15)2)25-23(28)20-5-3-4-6-21(20)26-22(27)14-29-19-11-8-17(24)9-12-19/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWHOFCFNHWACFAX-UHFFFAOYSA-N
XLogP5.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)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

2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 4945967
methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
CID 28637999
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide
CID 30335928
N,N'-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]hexanediamide
CID 4945136
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 17189571
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17094295
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4946012
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 4941425
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 54777061

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide (CID 4944441) is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Br)cc2)cc1C.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is WHOFCFNHWACFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-15-7-10-18(13-16(15)2)25-23(28)20-5-3-4-6-21(20)26-22(27)14-29-19-11-8-17(24)9-12-19/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide?
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 453.34 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 4944441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).