3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide

C19H21ClN2O2 — CID 113127429

IUPAC3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13-4-5-14(2)18(12-13)21-19(24)10-11-22(15(3)23)17-8-6-16(20)7-9-17/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyGRRKORRSXRZBFG-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.34
Rot. Bonds5

About 3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide

3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113127429) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID113127429
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13-4-5-14(2)18(12-13)21-19(24)10-11-22(15(3)23)17-8-6-16(20)7-9-17/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyGRRKORRSXRZBFG-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

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Related Compounds

3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
methyl 4-[acetyl-[3-(2,5-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113131529
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897
2-(N-acetyl-4-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113171587
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-4-ethylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113125415
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide (CID 113127429) is 3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1ccc(Cl)cc1.
What is the InChIKey of 3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is GRRKORRSXRZBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-4-5-14(2)18(12-13)21-19(24)10-11-22(15(3)23)17-8-6-16(20)7-9-17/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide?
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)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-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113127429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).