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

C26H24FN3O3 — CID 72538946

IUPAC2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccccc2-c2ccc(C=C3C(=O)Nc4ccc(F)cc43)o2)C1
InChIInChI=1S/C26H24FN3O3/c1-30-12-4-5-17(15-30)28-25(31)20-7-3-2-6-19(20)24-11-9-18(33-24)14-22-21-13-16(27)8-10-23(21)29-26(22)32/h2-3,6-11,13-14,17H,4-5,12,15H2,1H3,(H,28,31)(H,29,32)
InChIKeyJLAWSTAMAFDNSR-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.40
Rot. Bonds4

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

2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 72538946) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID72538946
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccccc2-c2ccc(C=C3C(=O)Nc4ccc(F)cc43)o2)C1
InChIInChI=1S/C26H24FN3O3/c1-30-12-4-5-17(15-30)28-25(31)20-7-3-2-6-19(20)24-11-9-18(33-24)14-22-21-13-16(27)8-10-23(21)29-26(22)32/h2-3,6-11,13-14,17H,4-5,12,15H2,1H3,(H,28,31)(H,29,32)
InChIKeyJLAWSTAMAFDNSR-UHFFFAOYSA-N
XLogP4.40
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide with MolForge

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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
N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 72539041
N-cyclopropyl-3-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190242
2-chloro-N-(1-methylpiperidin-4-yl)-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190236
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 71511474
4-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 72538950
(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 159676343
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709
2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 59190177
(3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one
CID 113196070

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide (CID 72538946) is 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2ccccc2-c2ccc(C=C3C(=O)Nc4ccc(F)cc43)o2)C1.
What is the InChIKey of 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is JLAWSTAMAFDNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-30-12-4-5-17(15-30)28-25(31)20-7-3-2-6-19(20)24-11-9-18(33-24)14-22-21-13-16(27)8-10-23(21)29-26(22)32/h2-3,6-11,13-14,17H,4-5,12,15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide?
2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 445.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 72538946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).