2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide

C18H20ClN3O2 — CID 86861166

IUPAC2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide
SMILESCC(=O)N(C)c1ccc(NC(C)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12(18(24)21-17-7-5-4-6-16(17)19)20-14-8-10-15(11-9-14)22(3)13(2)23/h4-12,20H,1-3H3,(H,21,24)
InChIKeyWJKBUEDNPHHRPC-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.76
Rot. Bonds5

About 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide

2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide (PubChem CID 86861166) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide
PubChem CID86861166
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide
SMILESCC(=O)N(C)c1ccc(NC(C)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12(18(24)21-17-7-5-4-6-16(17)19)20-14-8-10-15(11-9-14)22(3)13(2)23/h4-12,20H,1-3H3,(H,21,24)
InChIKeyWJKBUEDNPHHRPC-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide 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-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 46512777
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide
CID 96548422
(2R)-N-(2-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25361158
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18289314
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229

Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide (CID 86861166) is 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide is CC(=O)N(C)c1ccc(NC(C)C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide?
The InChIKey is WJKBUEDNPHHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(18(24)21-17-7-5-4-6-16(17)19)20-14-8-10-15(11-9-14)22(3)13(2)23/h4-12,20H,1-3H3,(H,21,24).
What are the key properties of 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide?
2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 86861166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).