2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide

C18H18ClNO3 — CID 7167750

IUPAC2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H18ClNO3/c1-11-4-6-15(8-12(11)2)20-18(22)10-23-17-7-5-14(19)9-16(17)13(3)21/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyDZCLNABRARZJSY-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.18
Rot. Bonds5

About 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide

2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 7167750) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
PubChem CID7167750
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H18ClNO3/c1-11-4-6-15(8-12(11)2)20-18(22)10-23-17-7-5-14(19)9-16(17)13(3)21/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyDZCLNABRARZJSY-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)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-acetyl-4-chlorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 41021404
2-(2-acetyl-4-chlorophenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7167790
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213
[2-(3,4-dimethylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619845
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
5-chloro-2-[2-(3,5-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 45417864
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512
2-(2-acetyl-4-chlorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783784
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide (CID 7167750) is 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide is CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is DZCLNABRARZJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-11-4-6-15(8-12(11)2)20-18(22)10-23-17-7-5-14(19)9-16(17)13(3)21/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide?
2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 331.80 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 7167750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).