(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one

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Basic information

CAS: 61294-07-3
Standard SMILES: O=C1Nc2ccccc2C1=Nc1cccc(C(F)(F)F)c1
InChIKey: BNSKFCOAYKYHCS-UHFFFAOYSA-N
Molecular formula: C15H9F3N2O
Average molar mass: 290.24 g/mol
Monoisotopic mass: 290.0666974

Names & identifiers

Preferred name: (3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
IUPAC: 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one

Names & synonyms

61294-07-3CHEMBL209480(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one3-[3-(trifluoromethyl)anilino]indol-2-oneTimTec1_003951CBDivE_011568SCHEMBL2217473SCHEMBL2217480DTXSID10350548HMS1545D13SMSSF-0059976BDBM50189595

Show more names

STK795436AKOS000520057AKOS0015857423-[3-(Trifluoromethyl)anilino]-2H-indol-2-oneSR-010003123733-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-oneSR-01000312373-1(E)-3-[m-(trifluoromethyl)phenylimino]-2-indolinone

Database identifiers

CAS: 61294-07-3
PubChem CID: 135411930
DTXSID: DTXSID10350548
ChEMBL: CHEMBL209480
Nikkaji: J2.776.287E

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 447

Related reactions

1 records

New reaction record

HRID 170432As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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