N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide

C19H21ClN2O2 — CID 109038924

IUPACN-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-12-10-13(2)19(17(20)11-12)21-9-8-18(24)22-16-6-4-15(5-7-16)14(3)23/h4-7,10-11,21H,8-9H2,1-3H3,(H,22,24)
InChIKeyPDGJFCNXEULHJE-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.60
Rot. Bonds6

About N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide

N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide (PubChem CID 109038924) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
PubChem CID109038924
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-12-10-13(2)19(17(20)11-12)21-9-8-18(24)22-16-6-4-15(5-7-16)14(3)23/h4-7,10-11,21H,8-9H2,1-3H3,(H,22,24)
InChIKeyPDGJFCNXEULHJE-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
3-(2-chloro-4,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109038932
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
methyl 4-[3-(2,4,6-trimethylanilino)propanoylamino]benzoate
CID 109037051
N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109041021
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038935
3-(2-chloro-4,6-dimethylanilino)propanoic acid
CID 82316593
3-(2-chloro-4,6-dimethylanilino)propanamide
CID 82081050
N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109038875

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide (CID 109038924) is N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide is CC(=O)c1ccc(NC(=O)CCNc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
The InChIKey is PDGJFCNXEULHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-10-13(2)19(17(20)11-12)21-9-8-18(24)22-16-6-4-15(5-7-16)14(3)23/h4-7,10-11,21H,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide has a molecular weight of 344.84 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide is sourced from PubChem (CID 109038924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).