Basic information
- CAS
289474-56-2- Standard SMILES
O=C(Nc1ccccc1)Nc1ccc2c(c1)CCC2- InChIKey
FQDYPIVYGMFAGN-UHFFFAOYSA-N- Molecular formula
- C16H16N2O
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.12626314
Names & identifiers
- Preferred name
- 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea
- IUPAC
- 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea
Names & synonyms
1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurean-(2,3-dihydro-1h-inden-5-yl)-n'-phenylurea289474-56-2MLS001230236(indan-5-ylamino)-N-benzamideSCHEMBL4115937CHEMBL1569259SCHEMBL31054230DTXSID801330082HMS2983F21STK493942AKOS003365995
Show more names
SMR000678033ST50935256
Database identifiers
- CAS
289474-56-2- PubChem CID
- 4530884
- DTXSID
DTXSID801330082- ChEMBL
CHEMBL1569259
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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