ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate

C17H19FN2O3 — CID 533621

IUPACethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1N1CCOCC1
InChIInChI=1S/C17H19FN2O3/c1-2-23-17(21)15-16(20-7-9-22-10-8-20)14(11-19-15)12-3-5-13(18)6-4-12/h3-6,11,19H,2,7-10H2,1H3
InChIKeyFKAOKSVQBBVADA-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.83
Rot. Bonds4

About ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate

ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (PubChem CID 533621) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
PubChem CID533621
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Nameethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1N1CCOCC1
InChIInChI=1S/C17H19FN2O3/c1-2-23-17(21)15-16(20-7-9-22-10-8-20)14(11-19-15)12-3-5-13(18)6-4-12/h3-6,11,19H,2,7-10H2,1H3
InChIKeyFKAOKSVQBBVADA-UHFFFAOYSA-N
XLogP2.83
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate 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 ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (CID 533621) is ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1N1CCOCC1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The InChIKey is FKAOKSVQBBVADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-2-23-17(21)15-16(20-7-9-22-10-8-20)14(11-19-15)12-3-5-13(18)6-4-12/h3-6,11,19H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 533621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).