2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide

C18H19ClN2O2 — CID 113168546

IUPAC2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-8-13(2)10-17(9-12)21(14(3)22)11-18(23)20-16-6-4-15(19)5-7-16/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyBDXUDKNXZNYBFJ-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.95
Rot. Bonds4

About 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide

2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide (PubChem CID 113168546) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
PubChem CID113168546
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-8-13(2)10-17(9-12)21(14(3)22)11-18(23)20-16-6-4-15(19)5-7-16/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyBDXUDKNXZNYBFJ-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)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-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51343114
2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113176021
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
CID 113171636
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide (CID 113168546) is 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide?
The InChIKey is BDXUDKNXZNYBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-8-13(2)10-17(9-12)21(14(3)22)11-18(23)20-16-6-4-15(19)5-7-16/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide?
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113168546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).