Basic information
- CAS
52190-18-8- Standard SMILES
O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1- InChIKey
WGJQECCUBXMMOE-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- Acetanilide, 2-indol-3-yl-
- IUPAC
- 2-(1H-indol-3-yl)-N-phenylacetamide
- English name
- N-Phenyl-1H-indole-3-acetamide
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
ACETANILIDE, 2-INDOL-3-YL-52190-18-8N-Phenyl 3-indoleacetamide3-Indoleacetamide, N-phenyl-BRN 0221151DTXSID302002185-22-03-00070 (Beilstein Handbook Reference)RefChem:315763DTXCID301227092-(1H-indol-3-yl)-N-phenylacetamideN-Phenyl-1H-indole-3-acetamide(indol-3-yl)acetanilide
Show more names
2-(1H-Indol-3-yl)acetanilide1H-Indole-3-acetamide, N-phenyl-
SCHEMBL7807900SCHEMBL31218207AKOS001407607DB-321247Z27782686
Database identifiers
- CAS
52190-18-8- PubChem CID
- 40272
- DTXSID
DTXSID30200218- Nikkaji
- J73.586H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 186 · 186-187 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 547.5 · 547.5±33.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 14.98 · 14.98±0.70(Predicted)
Chemistry & industry
Suppliers1 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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