5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one

C19H18ClNO — CID 57001674

IUPAC5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
SMILESCCc1ccc(C=C2C(=O)Nc3ccc(CCCl)cc32)cc1
InChIInChI=1S/C19H18ClNO/c1-2-13-3-5-14(6-4-13)12-17-16-11-15(9-10-20)7-8-18(16)21-19(17)22/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)
InChIKeyTUBZRXFISCTVDX-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.52
Rot. Bonds4

About 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one

5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one (PubChem CID 57001674) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
PubChem CID57001674
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
SMILESCCc1ccc(C=C2C(=O)Nc3ccc(CCCl)cc32)cc1
InChIInChI=1S/C19H18ClNO/c1-2-13-3-5-14(6-4-13)12-17-16-11-15(9-10-20)7-8-18(16)21-19(17)22/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)
InChIKeyTUBZRXFISCTVDX-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2-chloroethyl)-3-[(4-ethylphenyl)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-(2-chloroethyl)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 57299624
4-[[5-(2-chloroethyl)-2-oxo-1H-indol-3-ylidene]methyl]benzonitrile
CID 57143169
5-(2-chloroethyl)-3-[[4-(dibutylamino)phenyl]methylidene]-1H-indol-2-one
CID 57288768
5-(2-chloroethyl)-3-[(3,5-difluorophenyl)methylidene]-1H-indol-2-one
CID 57048256
(3E)-5-bromo-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 756584
5-(2-chloroethyl)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one
CID 57252111
5-(2-chloroethyl)-3-[[4-[3-(dimethylamino)propoxy]phenyl]methylidene]-1H-indol-2-one
CID 57164294
[2-acetyloxy-4-[[5-(2-chloroethyl)-2-oxo-1H-indol-3-ylidene]methyl]phenyl] acetate
CID 57037728
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one
CID 56984456
5-(2-chloroethyl)-3-[(5-chlorothiophen-2-yl)methylidene]-1H-indol-2-one
CID 57189107
5-(2-chloroethyl)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 57112017

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one (CID 57001674) is 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one is CCc1ccc(C=C2C(=O)Nc3ccc(CCCl)cc32)cc1.
What is the InChIKey of 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is TUBZRXFISCTVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO/c1-2-13-3-5-14(6-4-13)12-17-16-11-15(9-10-20)7-8-18(16)21-19(17)22/h3-8,11-12H,2,9-10H2,1H3,(H,21,22).
What are the key properties of 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one?
5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 311.81 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57001674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).