2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide

C19H21ClN2O2 — CID 113162766

IUPAC2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C)ccc1C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13-4-5-14(2)18(10-13)21-19(24)12-22(15(3)23)11-16-6-8-17(20)9-7-16/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyWICVNXXHTAKBMM-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.94
Rot. Bonds5

About 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 113162766) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID113162766
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C)ccc1C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13-4-5-14(2)18(10-13)21-19(24)12-22(15(3)23)11-16-6-8-17(20)9-7-16/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyWICVNXXHTAKBMM-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-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-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113162790
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
CID 113162771
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
CID 113161859
2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113166745
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113160861
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162936
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113161843
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide (CID 113162766) is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cc(C)ccc1C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is WICVNXXHTAKBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-4-5-14(2)18(10-13)21-19(24)12-22(15(3)23)11-16-6-8-17(20)9-7-16/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide?
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113162766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).