dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate

C15H14N2O5 — CID 110691213

IUPACdimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc[nH]c2)c1
InChIInChI=1S/C15H14N2O5/c1-21-14(19)9-3-4-11(15(20)22-2)12(7-9)17-13(18)10-5-6-16-8-10/h3-8,16H,1-2H3,(H,17,18)
InChIKeyXIUDPBVFIGQJBP-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.84
Rot. Bonds4

About dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate

dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate (PubChem CID 110691213) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate
PubChem CID110691213
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Namedimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc[nH]c2)c1
InChIInChI=1S/C15H14N2O5/c1-21-14(19)9-3-4-11(15(20)22-2)12(7-9)17-13(18)10-5-6-16-8-10/h3-8,16H,1-2H3,(H,17,18)
InChIKeyXIUDPBVFIGQJBP-UHFFFAOYSA-N
XLogP1.84
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate 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

dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
ethane;methyl 1H-pyrrole-3-carboxylate
CID 169144888
dimethyl 2-[[4-(2-ethylbutanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
CID 17309062
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate
CID 110689637
dimethyl 2-(1,2-oxazole-5-carbonylamino)benzene-1,4-dicarboxylate
CID 110693692
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108866342
dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
CID 17309543
dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]benzene-1,4-dicarboxylate
CID 601931
dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate
CID 986664

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate (CID 110691213) is dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc[nH]c2)c1.
What is the InChIKey of dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate?
The InChIKey is XIUDPBVFIGQJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-14(19)9-3-4-11(15(20)22-2)12(7-9)17-13(18)10-5-6-16-8-10/h3-8,16H,1-2H3,(H,17,18).
What are the key properties of dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate?
dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate has a molecular weight of 302.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate is sourced from PubChem (CID 110691213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).