methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

C17H19FN2O6 — CID 168562664

IUPACmethyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1ccc(F)c(NC2=C(C(=O)OC)CN(CCO)C2=O)c1
InChIInChI=1S/C17H19FN2O6/c1-3-26-16(23)10-4-5-12(18)13(8-10)19-14-11(17(24)25-2)9-20(6-7-21)15(14)22/h4-5,8,19,21H,3,6-7,9H2,1-2H3
InChIKeyUNTGEODYVLTZGM-UHFFFAOYSA-N
MW366.35 g/mol
LogP0.68
Rot. Bonds7

About methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168562664) has the molecular formula C17H19FN2O6 and a molecular weight of 366.35 g/mol. Its IUPAC name is methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID168562664
Molecular FormulaC17H19FN2O6
Molecular Weight366.35 g/mol
Exact Mass366.12
IUPAC Namemethyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1ccc(F)c(NC2=C(C(=O)OC)CN(CCO)C2=O)c1
InChIInChI=1S/C17H19FN2O6/c1-3-26-16(23)10-4-5-12(18)13(8-10)19-14-11(17(24)25-2)9-20(6-7-21)15(14)22/h4-5,8,19,21H,3,6-7,9H2,1-2H3
InChIKeyUNTGEODYVLTZGM-UHFFFAOYSA-N
XLogP0.68
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate 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

methyl 4-(4-fluoro-3-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560909
methyl 4-(4-fluoro-2-methoxy-3-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168565328
methyl 4-(5-fluoro-2-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560918
methyl 4-(3-fluoro-2,4-dimethylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562770
methyl 1-(2-hydroxyethyl)-4-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168561117
methyl 4-(2,5-dichloroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560945
methyl 4-(2-ethoxy-3-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564180
methyl 4-(5-fluoro-4-methyl-2-sulfanylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564643
methyl 4-[2-(ethylamino)-5-fluoroanilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562527
ethyl 2-[4-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]phenyl]sulfanylpyridine-4-carboxylate
CID 168563518
methyl 4-(4-fluoro-2-methoxyanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168565157
methyl 4-[2-ethoxycarbonyl-4,5-bis(2-methoxyethoxy)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562929

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (CID 168562664) is methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is CCOC(=O)c1ccc(F)c(NC2=C(C(=O)OC)CN(CCO)C2=O)c1.
What is the InChIKey of methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is UNTGEODYVLTZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O6/c1-3-26-16(23)10-4-5-12(18)13(8-10)19-14-11(17(24)25-2)9-20(6-7-21)15(14)22/h4-5,8,19,21H,3,6-7,9H2,1-2H3.
What are the key properties of methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 366.35 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-ethoxycarbonyl-2-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168562664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).