ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate

C18H15ClN2O3 — CID 135559828

IUPACethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
SMILESCCOC(=O)c1ccc(/N=C2\C(=O)Nc3c(C)ccc(Cl)c32)cc1
InChIInChI=1S/C18H15ClN2O3/c1-3-24-18(23)11-5-7-12(8-6-11)20-16-14-13(19)9-4-10(2)15(14)21-17(16)22/h4-9H,3H2,1-2H3,(H,20,21,22)
InChIKeyNWNPVZYKNWLTLC-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.90
Rot. Bonds3

About ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate

ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate (PubChem CID 135559828) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
PubChem CID135559828
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Nameethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
SMILESCCOC(=O)c1ccc(/N=C2\C(=O)Nc3c(C)ccc(Cl)c32)cc1
InChIInChI=1S/C18H15ClN2O3/c1-3-24-18(23)11-5-7-12(8-6-11)20-16-14-13(19)9-4-10(2)15(14)21-17(16)22/h4-9H,3H2,1-2H3,(H,20,21,22)
InChIKeyNWNPVZYKNWLTLC-UHFFFAOYSA-N
XLogP3.90
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate 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

4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide
CID 135559819
ethyl 4-[[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 137166063
ethyl 4-[(3,4-dichloro-5-oxofuran-2-ylidene)amino]benzoate
CID 622737
propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135559348
ethyl 4-[[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 137166070
ethyl 4-[[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 145141087
ethyl 4-[[1,2-diamino-2-(4-ethoxycarbonylphenyl)iminoethylidene]amino]benzoate
CID 6341789
propan-2-yl 4-[(5-bromo-7-ethyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135838591
(4-ethoxycarbonylphenyl)-λ2-stannane
CID 173440121
ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate
CID 23820110
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate?
The IUPAC name of ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate (CID 135559828) is ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate is CCOC(=O)c1ccc(/N=C2\C(=O)Nc3c(C)ccc(Cl)c32)cc1.
What is the InChIKey of ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate?
The InChIKey is NWNPVZYKNWLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-3-24-18(23)11-5-7-12(8-6-11)20-16-14-13(19)9-4-10(2)15(14)21-17(16)22/h4-9H,3H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate?
ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate has a molecular weight of 342.78 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate is sourced from PubChem (CID 135559828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).