ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate

C20H18FNO2 — CID 10268112

IUPACethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(-c2cccc(F)c2)c1-c1ccccc1
InChIInChI=1S/C20H18FNO2/c1-3-24-20(23)18-12-14(2)22(17-11-7-10-16(21)13-17)19(18)15-8-5-4-6-9-15/h4-13H,3H2,1-2H3
InChIKeySPNICRUVFBTLCI-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.77
Rot. Bonds4

About ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate

ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate (PubChem CID 10268112) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
PubChem CID10268112
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Nameethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(-c2cccc(F)c2)c1-c1ccccc1
InChIInChI=1S/C20H18FNO2/c1-3-24-20(23)18-12-14(2)22(17-11-7-10-16(21)13-17)19(18)15-8-5-4-6-9-15/h4-13H,3H2,1-2H3
InChIKeySPNICRUVFBTLCI-UHFFFAOYSA-N
XLogP4.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate (CID 10268112) is ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(-c2cccc(F)c2)c1-c1ccccc1.
What is the InChIKey of ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate?
The InChIKey is SPNICRUVFBTLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-3-24-20(23)18-12-14(2)22(17-11-7-10-16(21)13-17)19(18)15-8-5-4-6-9-15/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate?
ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-fluorophenyl)-5-methyl-2-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 10268112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).