(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one

C15H8Cl3NO — CID 2449460

IUPAC(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C15H8Cl3NO/c16-8-4-5-14-9(6-8)10(15(20)19-14)7-11-12(17)2-1-3-13(11)18/h1-7H,(H,19,20)/b10-7-
InChIKeyMIVXAWPQWYPHCZ-YFHOEESVSA-N
MW324.59 g/mol
LogP5.14
Rot. Bonds1

About (3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one (PubChem CID 2449460) has the molecular formula C15H8Cl3NO and a molecular weight of 324.59 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
PubChem CID2449460
Molecular FormulaC15H8Cl3NO
Molecular Weight324.59 g/mol
Exact Mass322.97
IUPAC Name(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C15H8Cl3NO/c16-8-4-5-14-9(6-8)10(15(20)19-14)7-11-12(17)2-1-3-13(11)18/h1-7H,(H,19,20)/b10-7-
InChIKeyMIVXAWPQWYPHCZ-YFHOEESVSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 55.14
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)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one (CID 2449460) is (3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1c(Cl)cccc1Cl.
What is the InChIKey of (3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is MIVXAWPQWYPHCZ-YFHOEESVSA-N. The full InChI is InChI=1S/C15H8Cl3NO/c16-8-4-5-14-9(6-8)10(15(20)19-14)7-11-12(17)2-1-3-13(11)18/h1-7H,(H,19,20)/b10-7-.
What are the key properties of (3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one has a molecular weight of 324.59 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2449460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).