7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one

C16H11F3N2O — CID 135559461

IUPAC7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)/C2=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O/c1-9-4-2-7-12-13(9)21-15(22)14(12)20-11-6-3-5-10(8-11)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyLDDMHTWZICEABQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.09
Rot. Bonds1

About 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one

7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one (PubChem CID 135559461) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
PubChem CID135559461
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)/C2=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O/c1-9-4-2-7-12-13(9)21-15(22)14(12)20-11-6-3-5-10(8-11)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyLDDMHTWZICEABQ-UHFFFAOYSA-N
XLogP4.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135449508
7-methyl-3-(2-methylphenyl)imino-1H-indol-2-one
CID 135559433
7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one
CID 135559403
5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
CID 135559702
5-[[4-(dimethylamino)phenyl]methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135523281
7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
CID 135559411
2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135457268
(5Z)-2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135770918
4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid
CID 135476347
(5E)-5-[(5-methylfuran-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135766124
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
CID 135672018
1-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 102526185

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
The IUPAC name of 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one (CID 135559461) is 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
The canonical SMILES for 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one is Cc1cccc2c1NC(=O)/C2=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
The InChIKey is LDDMHTWZICEABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-9-4-2-7-12-13(9)21-15(22)14(12)20-11-6-3-5-10(8-11)16(17,18)19/h2-8H,1H3,(H,20,21,22).
What are the key properties of 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one has a molecular weight of 304.27 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135559461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).