(3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one

C19H11Cl2NO2 — CID 71511427

IUPAC(3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H11Cl2NO2/c20-11-5-7-17-14(9-11)15(19(23)22-17)10-12-6-8-18(24-12)13-3-1-2-4-16(13)21/h1-10H,(H,22,23)/b15-10-
InChIKeyVQIGXAJSERPZTQ-GDNBJRDFSA-N
MW356.21 g/mol
LogP5.75
Rot. Bonds2

About (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 71511427) has the molecular formula C19H11Cl2NO2 and a molecular weight of 356.21 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID71511427
Molecular FormulaC19H11Cl2NO2
Molecular Weight356.21 g/mol
Exact Mass355.02
IUPAC Name(3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H11Cl2NO2/c20-11-5-7-17-14(9-11)15(19(23)22-17)10-12-6-8-18(24-12)13-3-1-2-4-16(13)21/h1-10H,(H,22,23)/b15-10-
InChIKeyVQIGXAJSERPZTQ-GDNBJRDFSA-N
XLogP5.75
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one (CID 71511427) is (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is VQIGXAJSERPZTQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H11Cl2NO2/c20-11-5-7-17-14(9-11)15(19(23)22-17)10-12-6-8-18(24-12)13-3-1-2-4-16(13)21/h1-10H,(H,22,23)/b15-10-.
What are the key properties of (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 356.21 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71511427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).