Alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide

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Basic information

CAS: 141030-55-9
Standard SMILES: CC(=O)c1ccc(C)cc1N[C@H](C(N)=O)c1c(Cl)cccc1Cl
InChIKey: CJPLEFFCVDQQFZ-INIZCTEOSA-N
Molecular formula: C17H16Cl2N2O2
Average molar mass: 351.2 g/mol
Monoisotopic mass: 350.0588831

Names & identifiers

Preferred name: Alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide
IUPAC: (2S)-2-(2-acetyl-5-methylanilino)-2-(2,6-dichlorophenyl)acetamide

Names & synonyms

ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE(2S)-2-[(2-acetyl-5-methylphenyl)amino]-2-(2,6-dichlorophenyl)acetamide(2S)-2-((2-acetyl-5-methylphenyl)amino)-2-(2,6-dichlorophenyl)acetamideRefChem:555165alpha-APA enantiomerR 90385141030-55-9Benzeneacetamide, alpha-((2-acetyl-5-methylphenyl)amino)-2,6-dichloro-, (-)-1vru.alpha.-APA enantiomerCHEMBL1230770SCHEMBL29457001

Show more names

DB07332PD005337NS00068812Q27096560(-)-alpha-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide(2S)-2-(2-acetyl-5-methyl-anilino)-2-(2,6-dichlorophenyl)acetamide(2S)-2-[(2-acetyl-5-methylphenyl)amino]-2-(2,6-dichlorophenyl)ethanamideBenzeneacetamide, .alpha.-[(2-acetyl-5-methylphenyl)amino]-2,6-dichloro-, (-)-

Database identifiers

CAS: 141030-55-9
PubChem CID: 449080
ChEMBL: CHEMBL1230770
Nikkaji: J565.716D

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 436

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

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Compound notes

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