2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one

C24H16FNO3 — CID 67027898

IUPAC2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one
SMILESCOc1cccc2c1OC(=Cc1c(-c3ccc(F)cc3)[nH]c3ccccc13)C2=O
InChIInChI=1S/C24H16FNO3/c1-28-20-8-4-6-17-23(27)21(29-24(17)20)13-18-16-5-2-3-7-19(16)26-22(18)14-9-11-15(25)12-10-14/h2-13,26H,1H3
InChIKeyJWWQMCXGZUQWAJ-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.60
Rot. Bonds3

About 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one

2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one (PubChem CID 67027898) has the molecular formula C24H16FNO3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one
PubChem CID67027898
Molecular FormulaC24H16FNO3
Molecular Weight385.39 g/mol
Exact Mass385.11
IUPAC Name2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one
SMILESCOc1cccc2c1OC(=Cc1c(-c3ccc(F)cc3)[nH]c3ccccc13)C2=O
InChIInChI=1S/C24H16FNO3/c1-28-20-8-4-6-17-23(27)21(29-24(17)20)13-18-16-5-2-3-7-19(16)26-22(18)14-9-11-15(25)12-10-14/h2-13,26H,1H3
InChIKeyJWWQMCXGZUQWAJ-UHFFFAOYSA-N
XLogP5.60
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 44554910
(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69004476
7-methoxy-5H-indeno[2,1-b]indol-6-one
CID 10444743
(2Z)-2-benzylidene-5-(4-fluorophenyl)-6-methoxy-1-benzofuran-3-one
CID 86342289
(2Z)-2-(1H-indol-3-ylmethylidene)-4-methoxy-1-benzofuran-3-one
CID 68557099
1-[(2Z)-2-[[2-(2,6-dimethoxyphenyl)-5-methoxy-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]-3-methylurea
CID 58004670
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99998041
(3R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-isoindol-1-one
CID 41066035
8-methoxy-3-methylidenechromen-4-one
CID 82277876
2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one
CID 25011613
2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one
CID 132530833
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one (CID 67027898) is 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one is COc1cccc2c1OC(=Cc1c(-c3ccc(F)cc3)[nH]c3ccccc13)C2=O.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one?
The InChIKey is JWWQMCXGZUQWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO3/c1-28-20-8-4-6-17-23(27)21(29-24(17)20)13-18-16-5-2-3-7-19(16)26-22(18)14-9-11-15(25)12-10-14/h2-13,26H,1H3.
What are the key properties of 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one?
2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one has a molecular weight of 385.39 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 67027898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).