methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate

C16H14Cl2N2O2 — CID 1449795

IUPACmethyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-19-6-5-13-14(19)8-15(16(21)22-2)20(13)9-10-3-4-11(17)7-12(10)18/h3-8H,9H2,1-2H3
InChIKeyZIVBCXJXVAHYIJ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.12
Rot. Bonds3

About methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate

methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1449795) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID1449795
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Namemethyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-19-6-5-13-14(19)8-15(16(21)22-2)20(13)9-10-3-4-11(17)7-12(10)18/h3-8H,9H2,1-2H3
InChIKeyZIVBCXJXVAHYIJ-UHFFFAOYSA-N
XLogP4.12
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-methyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
CID 6488349
methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate
CID 146173906
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 2764860
methyl 4-benzyl-2-(2,4-dichlorophenoxy)furo[3,2-b]pyrrole-5-carboxylate
CID 101128974
bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-hydroxyindole-2-carboxylate;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methoxyindole-2-carboxylate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158142772
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylic acid;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate
CID 162240907
methyl 4-[(2-chlorophenyl)methyl]-2-ethylthieno[3,2-b]pyrrole-5-carboxylate
CID 20883381
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
1-[(2,4-dichlorophenyl)methyl]-2,3-dihydropyrrole-4-carboxylic acid;methyl 1-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxylate
CID 157076357
3-[(2,4-dichlorophenyl)methyl]-1-methyl-2-oxobenzimidazole-5-carboxylic acid
CID 22387851

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate (CID 1449795) is methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ZIVBCXJXVAHYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-19-6-5-13-14(19)8-15(16(21)22-2)20(13)9-10-3-4-11(17)7-12(10)18/h3-8H,9H2,1-2H3.
What are the key properties of methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 337.21 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1449795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).