N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide

HCID 359786

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Basic information

CAS: 6641-63-0
Standard SMILES: Cc1cccc(C(C)(C)C)c1NC(=O)CCl
InChIKey: JYNOTRFRRIKTHZ-UHFFFAOYSA-N
Molecular formula: C13H18ClNO
Average molar mass: 239.74 g/mol
Monoisotopic mass: 239.1076919

Names & identifiers

Preferred name: N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
IUPAC: N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide

Names & synonyms

N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide6641-63-0NSC621350SCHEMBL5941054CHEMBL1997283SCHEMBL30502814DTXSID10326900AKOS024344021NSC-621350NCI60_006225

Database identifiers

CAS: 6641-63-0
PubChem CID: 359786
DTXSID: DTXSID10326900
ChEMBL: CHEMBL1997283
Nikkaji: J90.791J

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 247

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