methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate

C19H16Cl2N2O3 — CID 142023707

IUPACmethyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate
SMILES[H]/N=C1\C(=O)N(CCCC(=O)OC)c2cc(-c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C19H16Cl2N2O3/c1-26-17(24)3-2-8-23-16-9-11(4-6-14(16)18(22)19(23)25)13-7-5-12(20)10-15(13)21/h4-7,9-10,22H,2-3,8H2,1H3/b22-18-
InChIKeyGLVWONKHHPDOQF-PYCFMQQDSA-N
MW391.25 g/mol
LogP4.33
Rot. Bonds5

About methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate

methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate (PubChem CID 142023707) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate
PubChem CID142023707
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Namemethyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate
SMILES[H]/N=C1\C(=O)N(CCCC(=O)OC)c2cc(-c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C19H16Cl2N2O3/c1-26-17(24)3-2-8-23-16-9-11(4-6-14(16)18(22)19(23)25)13-7-5-12(20)10-15(13)21/h4-7,9-10,22H,2-3,8H2,1H3/b22-18-
InChIKeyGLVWONKHHPDOQF-PYCFMQQDSA-N
XLogP4.33
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate 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 methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate?
The IUPAC name of methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate (CID 142023707) is methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate.
What is the SMILES notation for methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate?
The canonical SMILES for methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate is [H]/N=C1\C(=O)N(CCCC(=O)OC)c2cc(-c3ccc(Cl)cc3Cl)ccc21.
What is the InChIKey of methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate?
The InChIKey is GLVWONKHHPDOQF-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-26-17(24)3-2-8-23-16-9-11(4-6-14(16)18(22)19(23)25)13-7-5-12(20)10-15(13)21/h4-7,9-10,22H,2-3,8H2,1H3/b22-18-.
What are the key properties of methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate?
methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate has a molecular weight of 391.25 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(2,4-dichlorophenyl)-3-imino-2-oxoindol-1-yl]butanoate is sourced from PubChem (CID 142023707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).