5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one

C17H11ClFNO2 — CID 139248771

IUPAC5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESCc1cc(F)ccc1C(=O)C=C1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C17H11ClFNO2/c1-9-6-11(19)3-4-12(9)16(21)8-14-13-7-10(18)2-5-15(13)20-17(14)22/h2-8H,1H3,(H,20,22)
InChIKeyHKXHNASNCLRNTK-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.01
Rot. Bonds2

About 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one

5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one (PubChem CID 139248771) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one
PubChem CID139248771
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESCc1cc(F)ccc1C(=O)C=C1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C17H11ClFNO2/c1-9-6-11(19)3-4-12(9)16(21)8-14-13-7-10(18)2-5-15(13)20-17(14)22/h2-8H,1H3,(H,20,22)
InChIKeyHKXHNASNCLRNTK-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.01
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one (CID 139248771) is 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one is Cc1cc(F)ccc1C(=O)C=C1C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one?
The InChIKey is HKXHNASNCLRNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-9-6-11(19)3-4-12(9)16(21)8-14-13-7-10(18)2-5-15(13)20-17(14)22/h2-8H,1H3,(H,20,22).
What are the key properties of 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one?
5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one has a molecular weight of 315.73 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one is sourced from PubChem (CID 139248771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).