(3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one

C15H8Cl2FNO — CID 45029061

IUPAC(3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1ccc(F)cc1
InChIInChI=1S/C15H8Cl2FNO/c16-12-6-5-10-11(15(20)19-14(10)13(12)17)7-8-1-3-9(18)4-2-8/h1-7H,(H,19,20)/b11-7-
InChIKeyXJEKZYXNOOALGX-XFFZJAGNSA-N
MW308.14 g/mol
LogP4.63
Rot. Bonds1

About (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one

(3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one (PubChem CID 45029061) has the molecular formula C15H8Cl2FNO and a molecular weight of 308.14 g/mol. Its IUPAC name is (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one
PubChem CID45029061
Molecular FormulaC15H8Cl2FNO
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name(3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1ccc(F)cc1
InChIInChI=1S/C15H8Cl2FNO/c16-12-6-5-10-11(15(20)19-14(10)13(12)17)7-8-1-3-9(18)4-2-8/h1-7H,(H,19,20)/b11-7-
InChIKeyXJEKZYXNOOALGX-XFFZJAGNSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one (CID 45029061) is (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1ccc(F)cc1.
What is the InChIKey of (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is XJEKZYXNOOALGX-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H8Cl2FNO/c16-12-6-5-10-11(15(20)19-14(10)13(12)17)7-8-1-3-9(18)4-2-8/h1-7H,(H,19,20)/b11-7-.
What are the key properties of (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one?
(3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one has a molecular weight of 308.14 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6,7-dichloro-3-[(4-fluorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 45029061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).