Basic information
- CAS
73663-78-2- Standard SMILES
CN(CC(=O)C(C#N)c1ccccc1)c1ccccc1- InChIKey
DZBBLJWSVLNSSO-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile
- IUPAC
- 4-(N-methylanilino)-3-oxo-2-phenylbutanenitrile
- English name
- 2-[2-(N-Methylanilino)acetyl]-2-phenylacetonitrile
- Molecular weight
- 0
Names & synonyms
73663-78-2ZA2ZX2ZAN5ACETONITRILE, 2-(2-(N-METHYLANILINO)ACETYL)-2-PHENYL-NSC-103388Acetonitrile, 2-[2-(N-methylanilino)acetyl]-2-phenyl-RefChem:1087127I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrileAcetoacetonitrile, 4-(N-methylanilino)-2-phenyl-2-(2-(N-Methylanilino)acetyl)-2-phenylacetonitrile2-[2-(N-Methylanilino)acetyl]-2-phenylacetonitrileNSC 103388BRN 3375694
Show more names
NCIOpen2_0070464-14-00-02564 (Beilstein Handbook Reference)Benzeneacetonitrile, alpha-((methylphenylamino)acetyl)-Benzeneacetonitrile, .alpha.-[(methylphenylamino)acetyl]-NSC103388DS-006383alpha-[2-(Methylphenylamino)acetyl]benzeneacetonitrileBenzeneacetonitrile, alpha-[2-(methylphenylamino)acetyl]-
Database identifiers
- CAS
73663-78-2- PubChem CID
- 51983
- UNII
- ZA2ZX2ZAN5
- Nikkaji
- J90.702B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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