5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide

C22H23FN2O2 — CID 3687169

IUPAC5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCc1ccc(O)cc1
InChIInChI=1S/C22H23FN2O2/c1-3-19-21(16-5-4-6-17(23)13-16)20(22(24)27)14(2)25(19)12-11-15-7-9-18(26)10-8-15/h4-10,13,26H,3,11-12H2,1-2H3,(H2,24,27)
InChIKeyHXVLAFSYYICEAE-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.21
Rot. Bonds6

About 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide

5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide (PubChem CID 3687169) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
PubChem CID3687169
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCc1ccc(O)cc1
InChIInChI=1S/C22H23FN2O2/c1-3-19-21(16-5-4-6-17(23)13-16)20(22(24)27)14(2)25(19)12-11-15-7-9-18(26)10-8-15/h4-10,13,26H,3,11-12H2,1-2H3,(H2,24,27)
InChIKeyHXVLAFSYYICEAE-UHFFFAOYSA-N
XLogP4.21
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide (CID 3687169) is 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide is CCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCc1ccc(O)cc1.
What is the InChIKey of 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is HXVLAFSYYICEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-3-19-21(16-5-4-6-17(23)13-16)20(22(24)27)14(2)25(19)12-11-15-7-9-18(26)10-8-15/h4-10,13,26H,3,11-12H2,1-2H3,(H2,24,27).
What are the key properties of 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3687169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).