(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one

C19H11ClFNO2 — CID 71511474

IUPAC(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H11ClFNO2/c20-16-4-2-1-3-13(16)18-8-6-12(24-18)10-15-14-9-11(21)5-7-17(14)22-19(15)23/h1-10H,(H,22,23)/b15-10-
InChIKeyTYKZNEGYDIZEFR-GDNBJRDFSA-N
MW339.75 g/mol
LogP5.23
Rot. Bonds2

About (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one

(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 71511474) has the molecular formula C19H11ClFNO2 and a molecular weight of 339.75 g/mol. Its IUPAC name is (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
PubChem CID71511474
Molecular FormulaC19H11ClFNO2
Molecular Weight339.75 g/mol
Exact Mass339.05
IUPAC Name(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H11ClFNO2/c20-16-4-2-1-3-13(16)18-8-6-12(24-18)10-15-14-9-11(21)5-7-17(14)22-19(15)23/h1-10H,(H,22,23)/b15-10-
InChIKeyTYKZNEGYDIZEFR-GDNBJRDFSA-N
XLogP5.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.75
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 59190215
methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 72539022
(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one
CID 87504644
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide
CID 72538946
N-cyclopropyl-3-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190242
(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 159676343
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190154
(3Z)-3-[(1,3-dimethylazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 68581049
(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 59301613
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
CID 4838804
5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 24856274

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one (CID 71511474) is (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is TYKZNEGYDIZEFR-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H11ClFNO2/c20-16-4-2-1-3-13(16)18-8-6-12(24-18)10-15-14-9-11(21)5-7-17(14)22-19(15)23/h1-10H,(H,22,23)/b15-10-.
What are the key properties of (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 339.75 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 71511474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).