1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

C21H13F3N2O — CID 1471834

IUPAC1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESO=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H/b25-19+
InChIKeyTXCGMRVPXUBHAL-NCELDCMTSA-N
MW366.34 g/mol
LogP5.50
Rot. Bonds2

About 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (PubChem CID 1471834) has the molecular formula C21H13F3N2O and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.

Molecular Properties

Compound Name1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
PubChem CID1471834
Molecular FormulaC21H13F3N2O
Molecular Weight366.34 g/mol
Exact Mass366.10
IUPAC Name1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESO=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H/b25-19+
InChIKeyTXCGMRVPXUBHAL-NCELDCMTSA-N
XLogP5.50
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The IUPAC name of 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (CID 1471834) is 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.
What is the SMILES notation for 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The canonical SMILES for 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The InChIKey is TXCGMRVPXUBHAL-NCELDCMTSA-N. The full InChI is InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H/b25-19+.
What are the key properties of 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one has a molecular weight of 366.34 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is sourced from PubChem (CID 1471834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).