(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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Related Compounds

4-(3-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329703
6-[(E)-1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 58452395
Z-3-(3-Chloro-2-fluoro-benzylidene)-6-hydroxy-1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one
CID 66764493
6-[(Z)-1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400808
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809
(3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione
CID 68049814
3-[(3-Chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione
CID 68052687
6-(5-chloro-2-fluorophenyl)-3-cyclopentyl-1H-pyridin-2-one
CID 68808955
6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one
CID 70836363
3-[(3-Chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one
CID 123799198
(3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one
CID 123939394
5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
CID 146296394

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).