methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate

C19H15ClN2O5 — CID 1192237

IUPACmethyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O5/c1-26-14-5-3-4-12(10-14)21-16-15(20)17(23)22(18(16)24)13-8-6-11(7-9-13)19(25)27-2/h3-10,21H,1-2H3
InChIKeyUBUNGVWKUHQCPD-UHFFFAOYSA-N
MW386.79 g/mol
LogP2.92
Rot. Bonds5

About methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate

methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate (PubChem CID 1192237) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate
PubChem CID1192237
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Namemethyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O5/c1-26-14-5-3-4-12(10-14)21-16-15(20)17(23)22(18(16)24)13-8-6-11(7-9-13)19(25)27-2/h3-10,21H,1-2H3
InChIKeyUBUNGVWKUHQCPD-UHFFFAOYSA-N
XLogP2.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]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

3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 1033968
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 1407534
3-chloro-4-(3-methoxyanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180917
3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 1185251
methyl 4-[[3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzoyl]amino]benzoate
CID 1407911
ethyl 3-[[4-chloro-1-(4-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 1185278
ethyl 4-[3-(3-methoxyanilino)-4-(4-methylphenyl)sulfanyl-2,5-dioxopyrrol-1-yl]benzoate
CID 2792571
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110589573
3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid
CID 1185314
3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033956
3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110587392
3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600222

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate?
The IUPAC name of methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate (CID 1192237) is methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate.
What is the SMILES notation for methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate?
The canonical SMILES for methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate is COC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3cccc(OC)c3)C2=O)cc1.
What is the InChIKey of methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate?
The InChIKey is UBUNGVWKUHQCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-26-14-5-3-4-12(10-14)21-16-15(20)17(23)22(18(16)24)13-8-6-11(7-9-13)19(25)27-2/h3-10,21H,1-2H3.
What are the key properties of methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate?
methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate has a molecular weight of 386.79 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate is sourced from PubChem (CID 1192237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).