3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide

C19H21ClN2O2 — CID 113124917

IUPAC3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)c1c(C)cccc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-5-4-6-14(2)19(13)22(15(3)23)12-11-18(24)21-17-9-7-16(20)8-10-17/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyORDJIQZAGPVFMQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.34
Rot. Bonds5

About 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide

3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide (PubChem CID 113124917) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
PubChem CID113124917
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)c1c(C)cccc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-5-4-6-14(2)19(13)22(15(3)23)12-11-18(24)21-17-9-7-16(20)8-10-17/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyORDJIQZAGPVFMQ-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-2,6-dimethylanilino)-N-(4-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

3-(N-acetyl-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924
3-(N-acetyl-2,6-dimethylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113124925
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432
3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide
CID 113126107
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide
CID 113135426
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
CID 113125623
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113168799

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide (CID 113124917) is 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)c1c(C)cccc1C.
What is the InChIKey of 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide?
The InChIKey is ORDJIQZAGPVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-5-4-6-14(2)19(13)22(15(3)23)12-11-18(24)21-17-9-7-16(20)8-10-17/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide?
3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide has a molecular weight of 344.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 113124917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).