2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide

C19H21BrN2O2 — CID 113178115

IUPAC2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C(C)=O)c1ccc(Br)cc1C
InChIInChI=1S/C19H21BrN2O2/c1-4-15-7-5-6-8-17(15)21-19(24)12-22(14(3)23)18-10-9-16(20)11-13(18)2/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyCETHPSPJGXTERZ-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.31
Rot. Bonds5

About 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide

2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide (PubChem CID 113178115) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
PubChem CID113178115
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C(C)=O)c1ccc(Br)cc1C
InChIInChI=1S/C19H21BrN2O2/c1-4-15-7-5-6-8-17(15)21-19(24)12-22(14(3)23)18-10-9-16(20)11-13(18)2/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyCETHPSPJGXTERZ-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide 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-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113178082
2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide
CID 113172573
2-(N-acetyl-4-bromo-2-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178111
2-(N-acetyl-4-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113167753
2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 113178126
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
2-(N-acetyl-2,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113167956
2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 113169176
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
CID 113177819
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
CID 113174277
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide (CID 113178115) is 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C(C)=O)c1ccc(Br)cc1C.
What is the InChIKey of 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide?
The InChIKey is CETHPSPJGXTERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-4-15-7-5-6-8-17(15)21-19(24)12-22(14(3)23)18-10-9-16(20)11-13(18)2/h5-11H,4,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide?
2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 113178115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).