5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide

C21H21ClN2O2 — CID 7212618

IUPAC5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)c1C
InChIInChI=1S/C21H21ClN2O2/c1-4-26-23-21(25)19-13-20(16-7-9-17(22)10-8-16)24(15(19)3)18-11-5-14(2)6-12-18/h5-13H,4H2,1-3H3,(H,23,25)
InChIKeyCXERJCWZUPCUMW-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.10
Rot. Bonds5

About 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide

5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide (PubChem CID 7212618) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
PubChem CID7212618
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)c1C
InChIInChI=1S/C21H21ClN2O2/c1-4-26-23-21(25)19-13-20(16-7-9-17(22)10-8-16)24(15(19)3)18-11-5-14(2)6-12-18/h5-13H,4H2,1-3H3,(H,23,25)
InChIKeyCXERJCWZUPCUMW-UHFFFAOYSA-N
XLogP5.10
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.10
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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Related Compounds

5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 42785571
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)pyrrole-3-carboxamide
CID 7307029
5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 42785629
[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213876
1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide
CID 42785626
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium
CID 7306703
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide (CID 7212618) is 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide is CCONC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is CXERJCWZUPCUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-4-26-23-21(25)19-13-20(16-7-9-17(22)10-8-16)24(15(19)3)18-11-5-14(2)6-12-18/h5-13H,4H2,1-3H3,(H,23,25).
What are the key properties of 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 5.10, 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-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 7212618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).