6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one

C17H14ClNO2 — CID 4058783

IUPAC6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCOc1ccccc1C=C1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C17H14ClNO2/c1-2-21-16-6-4-3-5-11(16)9-14-13-8-7-12(18)10-15(13)19-17(14)20/h3-10H,2H2,1H3,(H,19,20)
InChIKeyNHOPFEUJNMEIOB-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.23
Rot. Bonds3

About 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one

6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 4058783) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID4058783
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCOc1ccccc1C=C1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C17H14ClNO2/c1-2-21-16-6-4-3-5-11(16)9-14-13-8-7-12(18)10-15(13)19-17(14)20/h3-10H,2H2,1H3,(H,19,20)
InChIKeyNHOPFEUJNMEIOB-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[(2-ethoxyphenyl)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

Related Compounds

5-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 3967749
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 11602565
3-[(2-ethoxyphenyl)methylidene]-6-prop-2-enoxy-1H-indol-2-one
CID 72985927
(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11514939
N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide
CID 73064996
(3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one
CID 21370152
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one
CID 58662750
5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 4679336
(3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one
CID 131728300
(3E)-6-(1,3-benzoxazol-2-yl)-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 11639542
6-chloro-3-[(2,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 4809559
3-[(5-bromo-2-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 5012571

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one (CID 4058783) is 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one is CCOc1ccccc1C=C1C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is NHOPFEUJNMEIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-2-21-16-6-4-3-5-11(16)9-14-13-8-7-12(18)10-15(13)19-17(14)20/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one?
6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 299.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 4058783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).