1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one

C17H13F3N2O — CID 135034057

IUPAC1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one
SMILESO=C1/C(=N/CC(F)(F)F)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)11-21-15-13-8-4-5-9-14(13)22(16(15)23)10-12-6-2-1-3-7-12/h1-9H,10-11H2/b21-15+
InChIKeyZLVBDEOINCJRRV-RCCKNPSSSA-N
MW318.30 g/mol
LogP3.58
Rot. Bonds3

About 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one

1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one (PubChem CID 135034057) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one
PubChem CID135034057
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one
SMILESO=C1/C(=N/CC(F)(F)F)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)11-21-15-13-8-4-5-9-14(13)22(16(15)23)10-12-6-2-1-3-7-12/h1-9H,10-11H2/b21-15+
InChIKeyZLVBDEOINCJRRV-RCCKNPSSSA-N
XLogP3.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-3-((3-(trifluoromethyl)phenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 1471834
N-Methyloxindole
CID 6096
N-Ethyloxindole
CID 66135
3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
1-Phenyloxindole
CID 314787
2,3-Dihydroindol-1-yl-(2-fluorophenyl)methanone
CID 579820
1-benzoyl-2,3-dihydro-1H-indole
CID 681214
(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
CID 135411930
Cyclohexyl(2,3-dihydroindol-1-yl)methanone
CID 701901
3-(Biphenyl-2-ylamino)-2h-indol-2-one
CID 135478723
7-Methyl-3-p-tolylimino-1,3-dihydro-indol-2-one
CID 135495650

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one?
The IUPAC name of 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one (CID 135034057) is 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one.
What is the SMILES notation for 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one?
The canonical SMILES for 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one is O=C1/C(=N/CC(F)(F)F)c2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one?
The InChIKey is ZLVBDEOINCJRRV-RCCKNPSSSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)11-21-15-13-8-4-5-9-14(13)22(16(15)23)10-12-6-2-1-3-7-12/h1-9H,10-11H2/b21-15+.
What are the key properties of 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one?
1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one has a molecular weight of 318.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,2,2-trifluoroethylimino)indol-2-one is sourced from PubChem (CID 135034057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).