(3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one

C15H8ClF2NO — CID 8856687

IUPAC(3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(F)c(F)c1
InChIInChI=1S/C15H8ClF2NO/c16-9-2-3-10-11(15(20)19-14(10)7-9)5-8-1-4-12(17)13(18)6-8/h1-7H,(H,19,20)/b11-5+
InChIKeyHGDNSKYZIZZSBL-VZUCSPMQSA-N
MW291.68 g/mol
LogP4.11
Rot. Bonds1

About (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one

(3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one (PubChem CID 8856687) has the molecular formula C15H8ClF2NO and a molecular weight of 291.68 g/mol. Its IUPAC name is (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one
PubChem CID8856687
Molecular FormulaC15H8ClF2NO
Molecular Weight291.68 g/mol
Exact Mass291.03
IUPAC Name(3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(F)c(F)c1
InChIInChI=1S/C15H8ClF2NO/c16-9-2-3-10-11(15(20)19-14(10)7-9)5-8-1-4-12(17)13(18)6-8/h1-7H,(H,19,20)/b11-5+
InChIKeyHGDNSKYZIZZSBL-VZUCSPMQSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 54.11
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 (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one (CID 8856687) is (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(F)c(F)c1.
What is the InChIKey of (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is HGDNSKYZIZZSBL-VZUCSPMQSA-N. The full InChI is InChI=1S/C15H8ClF2NO/c16-9-2-3-10-11(15(20)19-14(10)7-9)5-8-1-4-12(17)13(18)6-8/h1-7H,(H,19,20)/b11-5+.
What are the key properties of (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one?
(3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one has a molecular weight of 291.68 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-[(3,4-difluorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 8856687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).