ST033272

HCID 674698

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Basic information

CAS: 528534-17-0
Standard SMILES: N#CCc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIKey: KZUSEBCSDUWWIR-UHFFFAOYSA-N
Molecular formula: C15H11FN2O
Average molar mass: 254.26 g/mol
Monoisotopic mass: 254.08554114

Names & identifiers

Preferred name: ST033272
IUPAC: N-[4-(cyanomethyl)phenyl]-4-fluorobenzamide
English name: Benzamide, N-[4-(cyanomethyl)phenyl]-4-fluoro- (9CI)
Molecular formula: C15H11FN2O
Molecular weight: 254.26

Names & synonyms

528534-17-0ST033272DTXSID90350147RefChem:381339DTXCID10301217N-[4-(cyanomethyl)phenyl]-4-fluorobenzamideBenzamide, N-[4-(cyanomethyl)phenyl]-4-fluoro- (9CI)N-(4-(Cyanomethyl)phenyl)-4-fluorobenzamideOprea1_188405KZUSEBCSDUWWIR-UHFFFAOYSA-NSTK408387AKOS000574759

Show more names

Benzamide, N-[4-(cyanomethyl)phenyl]-4-fluoro-

Benzamide, N-(4-cyanomethylphenyl)-4-fluoro-N-[4-(cyanomethyl)phenyl](4-fluorophenyl)carboxamide

Database identifiers

CAS: 528534-17-0
PubChem CID: 674698
DTXSID: DTXSID90350147

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 346

Chemistry & industry

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