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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Related Compounds

4-(2-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3864438
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3373701
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 161104087
4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide
CID 3832600
5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3795524
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate
CID 3719108
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3775192

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).