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

C19H12ClNO2 — CID 71511525

IUPAC(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H12ClNO2/c20-16-7-3-1-6-14(16)18-10-9-12(23-18)11-15-13-5-2-4-8-17(13)21-19(15)22/h1-11H,(H,21,22)/b15-11-
InChIKeyVHSKGECUELMEMY-PTNGSMBKSA-N
MW321.76 g/mol
LogP5.09
Rot. Bonds2

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

(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 71511525) has the molecular formula C19H12ClNO2 and a molecular weight of 321.76 g/mol. Its IUPAC name is (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID71511525
Molecular FormulaC19H12ClNO2
Molecular Weight321.76 g/mol
Exact Mass321.06
IUPAC Name(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H12ClNO2/c20-16-7-3-1-6-14(16)18-10-9-12(23-18)11-15-13-5-2-4-8-17(13)21-19(15)22/h1-11H,(H,21,22)/b15-11-
InChIKeyVHSKGECUELMEMY-PTNGSMBKSA-N
XLogP5.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.76
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one (CID 71511525) is (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is VHSKGECUELMEMY-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H12ClNO2/c20-16-7-3-1-6-14(16)18-10-9-12(23-18)11-15-13-5-2-4-8-17(13)21-19(15)22/h1-11H,(H,21,22)/b15-11-.
What are the key properties of (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 321.76 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71511525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).