4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile

C23H15FN2O2 — CID 90643713

IUPAC4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile
SMILESCOc1ccc(/C=C2/C(=O)Nc3cc(F)ccc32)c(-c2ccc(C#N)cc2)c1
InChIInChI=1S/C23H15FN2O2/c1-28-18-8-6-16(20(12-18)15-4-2-14(13-25)3-5-15)10-21-19-9-7-17(24)11-22(19)26-23(21)27/h2-12H,1H3,(H,26,27)/b21-10+
InChIKeyAJEDPQQOLAMBGS-UFFVCSGVSA-N
MW370.38 g/mol
LogP4.87
Rot. Bonds3

About 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile

4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile (PubChem CID 90643713) has the molecular formula C23H15FN2O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile
PubChem CID90643713
Molecular FormulaC23H15FN2O2
Molecular Weight370.38 g/mol
Exact Mass370.11
IUPAC Name4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile
SMILESCOc1ccc(/C=C2/C(=O)Nc3cc(F)ccc32)c(-c2ccc(C#N)cc2)c1
InChIInChI=1S/C23H15FN2O2/c1-28-18-8-6-16(20(12-18)15-4-2-14(13-25)3-5-15)10-21-19-9-7-17(24)11-22(19)26-23(21)27/h2-12H,1H3,(H,26,27)/b21-10+
InChIKeyAJEDPQQOLAMBGS-UFFVCSGVSA-N
XLogP4.87
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile?
The IUPAC name of 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile (CID 90643713) is 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile.
What is the SMILES notation for 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile?
The canonical SMILES for 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile is COc1ccc(/C=C2/C(=O)Nc3cc(F)ccc32)c(-c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile?
The InChIKey is AJEDPQQOLAMBGS-UFFVCSGVSA-N. The full InChI is InChI=1S/C23H15FN2O2/c1-28-18-8-6-16(20(12-18)15-4-2-14(13-25)3-5-15)10-21-19-9-7-17(24)11-22(19)26-23(21)27/h2-12H,1H3,(H,26,27)/b21-10+.
What are the key properties of 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile?
4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile has a molecular weight of 370.38 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methoxyphenyl]benzonitrile is sourced from PubChem (CID 90643713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).