Basic information
- CAS
140475-22-5- Standard SMILES
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccc(F)cc1- InChIKey
DABKTULDOCZOAO-UHFFFAOYSA-N- Molecular formula
- C12H11FN4O3
- Average molar mass
- 278.24 g/mol
- Monoisotopic mass
- 278.08151839
Overview
structure given in first source
Names & identifiers
- Preferred name
- PK 110
- IUPAC
- N-[(4-fluorophenyl)methyl]-2-(2-nitroimidazol-1-yl)acetamide
- English name
- PK 110
- Molecular formula
- C12H11FN4O3
- Molecular weight
- 278.2391432
Names & synonyms
140475-22-5PK 110PK-110DTXSID601614091H-Imidazole-1-acetamide, N-((4-fluorophenyl)methyl)-2-nitro-RefChem:174643DTXCID1083900N-[(4-fluorophenyl)methyl]-2-(2-nitroimidazol-1-yl)acetamideNSC644215N-(4-Fluorobenzyl)-2-(2-nitro-1H-imidazol-1-yl)acetamideCHEMBL1993594SCHEMBL29663426
Show more names
NSC-644215NCI60_014983N-[(4-Fluorophenyl)methyl]-2-(2-nitro-1H-imidazol-1-yl)acetamideN-(4-Fluorobenzyl)-2-(2-(hydroxy(oxido)amino)-1H-imidazol-1-yl)acetamide
Database identifiers
- CAS
140475-22-5- PubChem CID
- 132292
- DTXSID
DTXSID60161409- ChEMBL
CHEMBL1993594
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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