N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide

C17H19ClN2O — CID 26416416

IUPACN-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide
SMILESCc1cccc(NCC(=O)NCc2ccccc2Cl)c1C
InChIInChI=1S/C17H19ClN2O/c1-12-6-5-9-16(13(12)2)19-11-17(21)20-10-14-7-3-4-8-15(14)18/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyPZHHUJSIGDTYAX-UHFFFAOYSA-N
MW302.80 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide

N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide (PubChem CID 26416416) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide
PubChem CID26416416
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide
SMILESCc1cccc(NCC(=O)NCc2ccccc2Cl)c1C
InChIInChI=1S/C17H19ClN2O/c1-12-6-5-9-16(13(12)2)19-11-17(21)20-10-14-7-3-4-8-15(14)18/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyPZHHUJSIGDTYAX-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)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-[(2-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108946597
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide
CID 33161990
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide
CID 31885031
N-(2-benzylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 9080869
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 53365934
2-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666412
2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29451919
3-[[[2-(3-chloro-2-methylanilino)acetyl]amino]methyl]-4-fluorobenzoic acid
CID 143624740

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide (CID 26416416) is N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide is Cc1cccc(NCC(=O)NCc2ccccc2Cl)c1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide?
The InChIKey is PZHHUJSIGDTYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-6-5-9-16(13(12)2)19-11-17(21)20-10-14-7-3-4-8-15(14)18/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide has a molecular weight of 302.80 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide is sourced from PubChem (CID 26416416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).