3-(2,4-difluorophenyl)imino-1H-indol-2-one

C14H8F2N2O — CID 135473672

IUPAC3-(2,4-difluorophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(F)cc1F
InChIInChI=1S/C14H8F2N2O/c15-8-5-6-12(10(16)7-8)17-13-9-3-1-2-4-11(9)18-14(13)19/h1-7H,(H,17,18,19)
InChIKeyZMWGCBVNGCNSET-UHFFFAOYSA-N
MW258.23 g/mol
LogP3.04
Rot. Bonds1

About 3-(2,4-difluorophenyl)imino-1H-indol-2-one

3-(2,4-difluorophenyl)imino-1H-indol-2-one (PubChem CID 135473672) has the molecular formula C14H8F2N2O and a molecular weight of 258.23 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)imino-1H-indol-2-one
PubChem CID135473672
Molecular FormulaC14H8F2N2O
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name3-(2,4-difluorophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(F)cc1F
InChIInChI=1S/C14H8F2N2O/c15-8-5-6-12(10(16)7-8)17-13-9-3-1-2-4-11(9)18-14(13)19/h1-7H,(H,17,18,19)
InChIKeyZMWGCBVNGCNSET-UHFFFAOYSA-N
XLogP3.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 53.04
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-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-(2-iodophenyl)imino-1H-indol-2-one
CID 135454715
3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
CID 135519848
(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
3-(4-iodophenyl)imino-1H-indol-2-one
CID 135411934
(3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one
CID 135535912
3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
CID 135416717
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide
CID 137279457
3-(2,4-difluorophenyl)imino-1-prop-2-ynylindol-2-one
CID 3840828
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
CID 135672018

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(2,4-difluorophenyl)imino-1H-indol-2-one (CID 135473672) is 3-(2,4-difluorophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(2,4-difluorophenyl)imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)imino-1H-indol-2-one?
The InChIKey is ZMWGCBVNGCNSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O/c15-8-5-6-12(10(16)7-8)17-13-9-3-1-2-4-11(9)18-14(13)19/h1-7H,(H,17,18,19).
What are the key properties of 3-(2,4-difluorophenyl)imino-1H-indol-2-one?
3-(2,4-difluorophenyl)imino-1H-indol-2-one has a molecular weight of 258.23 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135473672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).