(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one

C24H18FNO3 — CID 159676343

IUPAC(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C\c1ccc(-c2cccc(C(=O)CC3CC3)c2)o1
InChIInChI=1S/C24H18FNO3/c25-17-6-8-21-19(12-17)20(24(28)26-21)13-18-7-9-23(29-18)16-3-1-2-15(11-16)22(27)10-14-4-5-14/h1-3,6-9,11-14H,4-5,10H2,(H,26,28)/b20-13+
InChIKeyOPMQLTAZESXXQI-DEDYPNTBSA-N
MW387.41 g/mol
LogP5.56
Rot. Bonds5

About (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one

(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 159676343) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
PubChem CID159676343
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C\c1ccc(-c2cccc(C(=O)CC3CC3)c2)o1
InChIInChI=1S/C24H18FNO3/c25-17-6-8-21-19(12-17)20(24(28)26-21)13-18-7-9-23(29-18)16-3-1-2-15(11-16)22(27)10-14-4-5-14/h1-3,6-9,11-14H,4-5,10H2,(H,26,28)/b20-13+
InChIKeyOPMQLTAZESXXQI-DEDYPNTBSA-N
XLogP5.56
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-3-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190242
3-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-[(3-methylimidazol-4-yl)methyl]benzamide
CID 59190145
3-[5-[(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 72538998
(3E)-5-chloro-3-[[5-[3-(4-hydroxy-4-phenylbutanoyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 160890783
(3E)-3-[[5-[4-[3-(1-ethylpyrrolidin-2-yl)propanoyl]phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 158833492
3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-hydroxy-N-methylbenzamide
CID 143921870
4-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 72538984
4-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 72538950
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 71511474
N-[(1-methylpiperidin-2-yl)methyl]-3-[5-[(E)-[2-oxo-5-(trifluoromethyl)-1H-indol-3-ylidene]methyl]furan-2-yl]benzamide
CID 59190311
5-chloro-3-[[5-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 72539134
methyl 2-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 59190215

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one (CID 159676343) is (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C\c1ccc(-c2cccc(C(=O)CC3CC3)c2)o1.
What is the InChIKey of (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is OPMQLTAZESXXQI-DEDYPNTBSA-N. The full InChI is InChI=1S/C24H18FNO3/c25-17-6-8-21-19(12-17)20(24(28)26-21)13-18-7-9-23(29-18)16-3-1-2-15(11-16)22(27)10-14-4-5-14/h1-3,6-9,11-14H,4-5,10H2,(H,26,28)/b20-13+.
What are the key properties of (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 387.41 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 159676343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).