2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide

C19H21BrClNO3 — CID 31013760

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2ccc(C)cc2Cl)cc1OCC
InChIInChI=1S/C19H21BrClNO3/c1-4-24-17-9-13(14(20)11-18(17)25-5-2)10-19(23)22-16-7-6-12(3)8-15(16)21/h6-9,11H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyOEPMNBYVIBVQLP-UHFFFAOYSA-N
MW426.74 g/mol
LogP5.39
Rot. Bonds7

About 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 31013760) has the molecular formula C19H21BrClNO3 and a molecular weight of 426.74 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID31013760
Molecular FormulaC19H21BrClNO3
Molecular Weight426.74 g/mol
Exact Mass425.04
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2ccc(C)cc2Cl)cc1OCC
InChIInChI=1S/C19H21BrClNO3/c1-4-24-17-9-13(14(20)11-18(17)25-5-2)10-19(23)22-16-7-6-12(3)8-15(16)21/h6-9,11H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyOEPMNBYVIBVQLP-UHFFFAOYSA-N
XLogP5.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.74
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)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-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
CID 9039211
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 24673330
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 55386564
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903768
2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66541523
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
CID 27676108
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758284
4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide
CID 27667129
N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide
CID 78792966

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide (CID 31013760) is 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide is CCOc1cc(Br)c(CC(=O)Nc2ccc(C)cc2Cl)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is OEPMNBYVIBVQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO3/c1-4-24-17-9-13(14(20)11-18(17)25-5-2)10-19(23)22-16-7-6-12(3)8-15(16)21/h6-9,11H,4-5,10H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 426.74 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 31013760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).