3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one

C24H17FN2O — CID 3276576

IUPAC3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C24H17FN2O/c25-18-7-5-6-16(12-18)14-27-15-17(19-8-2-4-11-23(19)27)13-21-20-9-1-3-10-22(20)26-24(21)28/h1-13,15H,14H2,(H,26,28)
InChIKeyRDLPPNVKSURZRJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.32
Rot. Bonds3

About 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one

3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one (PubChem CID 3276576) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one
PubChem CID3276576
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C24H17FN2O/c25-18-7-5-6-16(12-18)14-27-15-17(19-8-2-4-11-23(19)27)13-21-20-9-1-3-10-22(20)26-24(21)28/h1-13,15H,14H2,(H,26,28)
InChIKeyRDLPPNVKSURZRJ-UHFFFAOYSA-N
XLogP5.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 3958106
10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
CID 155810643
2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(4-phenylbutyl)acetamide
CID 73159721
2-[3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(3-phenylpropyl)acetamide
CID 11977997
2-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(4-phenylbutyl)acetamide
CID 143304651
1-benzyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1329245
(3E)-3-[[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 6106896
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 3419928
(3E)-3-[[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one
CID 118708858
(5E)-5-[(1-benzylindol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 2221161
(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 143304674
(3Z)-3-[[3,5-dibromo-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
CID 126121884

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one?
The IUPAC name of 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one (CID 3276576) is 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1cn(Cc2cccc(F)c2)c2ccccc12.
What is the InChIKey of 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one?
The InChIKey is RDLPPNVKSURZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c25-18-7-5-6-16(12-18)14-27-15-17(19-8-2-4-11-23(19)27)13-21-20-9-1-3-10-22(20)26-24(21)28/h1-13,15H,14H2,(H,26,28).
What are the key properties of 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one?
3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one has a molecular weight of 368.41 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 3276576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).