3-chloro-N-[3-(1-hexynyl)phenyl]benzenecarboxamide

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Basic information

CAS: 861209-78-1
Standard SMILES: CCCCC#Cc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIKey: HNIYJIYURRPDIK-UHFFFAOYSA-N
Molecular formula: C19H18ClNO
Average molar mass: 311.8 g/mol
Monoisotopic mass: 311.1076919

Names & identifiers

Preferred name: 3-chloro-N-[3-(1-hexynyl)phenyl]benzenecarboxamide
IUPAC: 3-chloro-N-(3-hex-1-ynylphenyl)benzamide

Names & synonyms

861209-78-13-chloro-N-[3-(1-hexynyl)phenyl]benzenecarboxamide3-chloro-N-[3-(hex-1-yn-1-yl)phenyl]benzamide3-chloro-N-(3-hex-1-ynylphenyl)benzamideDTXSID301255192MFCD04124944AKOS0050869053-Chloro-N-[3-(1-hexyn-1-yl)phenyl]benzamide2T-1136

Database identifiers

CAS: 861209-78-1
PubChem CID: 4358477
DTXSID: DTXSID301255192

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 422

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Compound notes

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