4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide

C22H23ClN2O — CID 3373701

IUPAC4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccccc2Cl)c(C(N)=O)c(C)n1CCc1ccccc1
InChIInChI=1S/C22H23ClN2O/c1-3-19-21(17-11-7-8-12-18(17)23)20(22(24)26)15(2)25(19)14-13-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H2,24,26)
InChIKeyCDCYYBMXIQFDHW-UHFFFAOYSA-N
MW366.89 g/mol
LogP5.02
Rot. Bonds6

About 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide

4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide (PubChem CID 3373701) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
PubChem CID3373701
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccccc2Cl)c(C(N)=O)c(C)n1CCc1ccccc1
InChIInChI=1S/C22H23ClN2O/c1-3-19-21(17-11-7-8-12-18(17)23)20(22(24)26)15(2)25(19)14-13-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H2,24,26)
InChIKeyCDCYYBMXIQFDHW-UHFFFAOYSA-N
XLogP5.02
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3864438
4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3857314
5-butyl-4-(2-chlorophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3790315
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3863874
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
methyl 3-[4-carbamoyl-3-(2-chlorophenyl)-1-[(3-chlorophenyl)methyl]-5-methylpyrrol-2-yl]propanoate
CID 3803967
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3795524
methyl 3-[4-carbamoyl-3-(2-chlorophenyl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-2-yl]propanoate
CID 3718926
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide (CID 3373701) is 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide is CCc1c(-c2ccccc2Cl)c(C(N)=O)c(C)n1CCc1ccccc1.
What is the InChIKey of 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is CDCYYBMXIQFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-3-19-21(17-11-7-8-12-18(17)23)20(22(24)26)15(2)25(19)14-13-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H2,24,26).
What are the key properties of 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide?
4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3373701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).