(3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one

C17H9ClFN3O2 — CID 172921472

IUPAC(3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Cc2ccc(Cl)cc2/C1=N/N=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H9ClFN3O2/c18-9-2-1-8-5-14(23)15(11(8)6-9)21-22-16-12-7-10(19)3-4-13(12)20-17(16)24/h1-4,6-7H,5H2,(H,20,22,24)/b21-15-
InChIKeyOXEWLSNJSJRGPR-QNGOZBTKSA-N
MW341.73 g/mol
LogP2.75
Rot. Bonds1

About (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one

(3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one (PubChem CID 172921472) has the molecular formula C17H9ClFN3O2 and a molecular weight of 341.73 g/mol. Its IUPAC name is (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one
PubChem CID172921472
Molecular FormulaC17H9ClFN3O2
Molecular Weight341.73 g/mol
Exact Mass341.04
IUPAC Name(3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Cc2ccc(Cl)cc2/C1=N/N=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H9ClFN3O2/c18-9-2-1-8-5-14(23)15(11(8)6-9)21-22-16-12-7-10(19)3-4-13(12)20-17(16)24/h1-4,6-7H,5H2,(H,20,22,24)/b21-15-
InChIKeyOXEWLSNJSJRGPR-QNGOZBTKSA-N
XLogP2.75
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-fluorophenyl)urea
CID 135995910
5-fluoro-3-methoxyimino-1H-indol-2-one
CID 137234814
4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 10975535
(3E)-5-chloro-3-piperidin-1-ylimino-1H-indol-2-one
CID 135689178
(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
CID 176730765
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 172865253
5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
CID 171716800
5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
CID 3252421
(2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 176624294
(3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
CID 172934341
(3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one
CID 135535912
(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
CID 135747131

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one (CID 172921472) is (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one is O=C1Cc2ccc(Cl)cc2/C1=N/N=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is OXEWLSNJSJRGPR-QNGOZBTKSA-N. The full InChI is InChI=1S/C17H9ClFN3O2/c18-9-2-1-8-5-14(23)15(11(8)6-9)21-22-16-12-7-10(19)3-4-13(12)20-17(16)24/h1-4,6-7H,5H2,(H,20,22,24)/b21-15-.
What are the key properties of (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one?
(3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 341.73 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 172921472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).