5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide

C20H18ClFN2O2 — CID 42665871

IUPAC5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(F)c2)c1C
InChIInChI=1S/C20H18ClFN2O2/c1-3-26-23-20(25)18-12-19(14-7-9-15(21)10-8-14)24(13(18)2)17-6-4-5-16(22)11-17/h4-12H,3H2,1-2H3,(H,23,25)
InChIKeyYCQVHIFZVGSSNX-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.93
Rot. Bonds5

About 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide

5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 42665871) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
PubChem CID42665871
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(F)c2)c1C
InChIInChI=1S/C20H18ClFN2O2/c1-3-26-23-20(25)18-12-19(14-7-9-15(21)10-8-14)24(13(18)2)17-6-4-5-16(22)11-17/h4-12H,3H2,1-2H3,(H,23,25)
InChIKeyYCQVHIFZVGSSNX-UHFFFAOYSA-N
XLogP4.93
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide (CID 42665871) is 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide is CCONC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(F)c2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is YCQVHIFZVGSSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-3-26-23-20(25)18-12-19(14-7-9-15(21)10-8-14)24(13(18)2)17-6-4-5-16(22)11-17/h4-12H,3H2,1-2H3,(H,23,25).
What are the key properties of 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide?
5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 372.83 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 42665871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).