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

C22H23ClN2O2 — CID 3863874

IUPAC4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(Cl)cc2)c(C(N)=O)c(C)n1CCc1ccc(O)cc1
InChIInChI=1S/C22H23ClN2O2/c1-3-19-21(16-6-8-17(23)9-7-16)20(22(24)27)14(2)25(19)13-12-15-4-10-18(26)11-5-15/h4-11,26H,3,12-13H2,1-2H3,(H2,24,27)
InChIKeyVEMKQRQGTVUMOX-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.73
Rot. Bonds6

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

4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide (PubChem CID 3863874) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
PubChem CID3863874
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(Cl)cc2)c(C(N)=O)c(C)n1CCc1ccc(O)cc1
InChIInChI=1S/C22H23ClN2O2/c1-3-19-21(16-6-8-17(23)9-7-16)20(22(24)27)14(2)25(19)13-12-15-4-10-18(26)11-5-15/h4-11,26H,3,12-13H2,1-2H3,(H2,24,27)
InChIKeyVEMKQRQGTVUMOX-UHFFFAOYSA-N
XLogP4.73
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide (CID 3863874) is 4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide is CCc1c(-c2ccc(Cl)cc2)c(C(N)=O)c(C)n1CCc1ccc(O)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is VEMKQRQGTVUMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-3-19-21(16-6-8-17(23)9-7-16)20(22(24)27)14(2)25(19)13-12-15-4-10-18(26)11-5-15/h4-11,26H,3,12-13H2,1-2H3,(H2,24,27).
What are the key properties of 4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3863874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).