methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate

C21H14FNO4 — CID 72539022

IUPACmethyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)Nc3ccc(F)cc32)o1
InChIInChI=1S/C21H14FNO4/c1-26-21(25)15-5-3-2-4-14(15)19-9-7-13(27-19)11-17-16-10-12(22)6-8-18(16)23-20(17)24/h2-11H,1H3,(H,23,24)
InChIKeyIQHUHHKKKSIQDX-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.36
Rot. Bonds3

About methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate

methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate (PubChem CID 72539022) has the molecular formula C21H14FNO4 and a molecular weight of 363.34 g/mol. Its IUPAC name is methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
PubChem CID72539022
Molecular FormulaC21H14FNO4
Molecular Weight363.34 g/mol
Exact Mass363.09
IUPAC Namemethyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)Nc3ccc(F)cc32)o1
InChIInChI=1S/C21H14FNO4/c1-26-21(25)15-5-3-2-4-14(15)19-9-7-13(27-19)11-17-16-10-12(22)6-8-18(16)23-20(17)24/h2-11H,1H3,(H,23,24)
InChIKeyIQHUHHKKKSIQDX-UHFFFAOYSA-N
XLogP4.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 71511474
2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide
CID 72538946
methyl 4-[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 6532942
methyl 4-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 4963846
N-cyclopropyl-3-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190242
(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one
CID 87504644
methyl 2-[5-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126254581
(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 159676343
methyl 3-[5-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]-2-methylbenzoate
CID 126065123
methyl 2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoate
CID 50883648
N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 72539041

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate (CID 72539022) is methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate is COC(=O)c1ccccc1-c1ccc(C=C2C(=O)Nc3ccc(F)cc32)o1.
What is the InChIKey of methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate?
The InChIKey is IQHUHHKKKSIQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO4/c1-26-21(25)15-5-3-2-4-14(15)19-9-7-13(27-19)11-17-16-10-12(22)6-8-18(16)23-20(17)24/h2-11H,1H3,(H,23,24).
What are the key properties of methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate?
methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate has a molecular weight of 363.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 72539022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).