3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one

C16H12FNO — CID 964242

IUPAC3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
SMILESCN1C(=O)C(=Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H12FNO/c1-18-15-5-3-2-4-13(15)14(16(18)19)10-11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyJXARASJLZNBWPP-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.34
Rot. Bonds1

About 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one

3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one (PubChem CID 964242) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
PubChem CID964242
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
SMILESCN1C(=O)C(=Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H12FNO/c1-18-15-5-3-2-4-13(15)14(16(18)19)10-11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyJXARASJLZNBWPP-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
CID 4209070
1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one
CID 964257
(3E)-3-[(3-bromophenyl)methylidene]-1-methylindol-2-one
CID 112979029
3-ethylidene-1-methylindol-2-one
CID 85157103
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one
CID 2387034
3-[(4-bromo-2-fluorophenyl)methylidene]-1-methylindol-2-one
CID 78497428
(5Z)-5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 2056044
5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 2836561
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344
(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964148
(3Z)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964149

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one (CID 964242) is 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one is CN1C(=O)C(=Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one?
The InChIKey is JXARASJLZNBWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c1-18-15-5-3-2-4-13(15)14(16(18)19)10-11-6-8-12(17)9-7-11/h2-10H,1H3.
What are the key properties of 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one?
3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one has a molecular weight of 253.28 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one is sourced from PubChem (CID 964242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).