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

C15H10Cl2FNO — CID 141447970

IUPAC(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one
SMILESO=C1NC2=CC(Cl)=CCC2/C1=C\c1cccc(Cl)c1F
InChIInChI=1S/C15H10Cl2FNO/c16-9-4-5-10-11(15(20)19-13(10)7-9)6-8-2-1-3-12(17)14(8)18/h1-4,6-7,10H,5H2,(H,19,20)/b11-6+
InChIKeyGAZLJNFMVUUCNL-IZZDOVSWSA-N
MW310.16 g/mol
LogP4.02
Rot. Bonds1

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

(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one (PubChem CID 141447970) has the molecular formula C15H10Cl2FNO and a molecular weight of 310.16 g/mol. Its IUPAC name is (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one
PubChem CID141447970
Molecular FormulaC15H10Cl2FNO
Molecular Weight310.16 g/mol
Exact Mass309.01
IUPAC Name(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one
SMILESO=C1NC2=CC(Cl)=CCC2/C1=C\c1cccc(Cl)c1F
InChIInChI=1S/C15H10Cl2FNO/c16-9-4-5-10-11(15(20)19-13(10)7-9)6-8-2-1-3-12(17)14(8)18/h1-4,6-7,10H,5H2,(H,19,20)/b11-6+
InChIKeyGAZLJNFMVUUCNL-IZZDOVSWSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one?
The IUPAC name of (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one (CID 141447970) is (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one?
The canonical SMILES for (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one is O=C1NC2=CC(Cl)=CCC2/C1=C\c1cccc(Cl)c1F.
What is the InChIKey of (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one?
The InChIKey is GAZLJNFMVUUCNL-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H10Cl2FNO/c16-9-4-5-10-11(15(20)19-13(10)7-9)6-8-2-1-3-12(17)14(8)18/h1-4,6-7,10H,5H2,(H,19,20)/b11-6+.
What are the key properties of (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one?
(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one has a molecular weight of 310.16 g/mol, XLogP of 4.02, 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-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one is sourced from PubChem (CID 141447970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).