2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide

C19H22ClN3O2 — CID 18078825

IUPAC2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-23(14-19(25)22-17-9-7-16(20)8-10-17)13-18(24)21-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyAYDUXQGYPJAZPU-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.57
Rot. Bonds8

About 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide (PubChem CID 18078825) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
PubChem CID18078825
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-23(14-19(25)22-17-9-7-16(20)8-10-17)13-18(24)21-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyAYDUXQGYPJAZPU-UHFFFAOYSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)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

N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
N-[2-(4-chlorophenyl)ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250787
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406
2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 2699169
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
CID 8816242
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 27244251
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 4781646
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
CID 108949854
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 55648751

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide (CID 18078825) is 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is AYDUXQGYPJAZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-23(14-19(25)22-17-9-7-16(20)8-10-17)13-18(24)21-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide?
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 18078825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).