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

C20H19ClN2O2 — CID 7213183

IUPAC5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C
InChIInChI=1S/C20H19ClN2O2/c1-3-25-22-20(24)18-13-19(15-9-11-16(21)12-10-15)23(14(18)2)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyNLBKEWAQBRJVIE-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.79
Rot. Bonds5

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

5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide (PubChem CID 7213183) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
PubChem CID7213183
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C
InChIInChI=1S/C20H19ClN2O2/c1-3-25-22-20(24)18-13-19(15-9-11-16(21)12-10-15)23(14(18)2)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyNLBKEWAQBRJVIE-UHFFFAOYSA-N
XLogP4.79
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.79
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-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618
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)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742338
[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
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
ethyl 5-(4-bromophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
CID 14339198
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 42785571

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide (CID 7213183) is 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide is CCONC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is NLBKEWAQBRJVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-3-25-22-20(24)18-13-19(15-9-11-16(21)12-10-15)23(14(18)2)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,22,24).
What are the key properties of 5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide?
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.79, 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-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 7213183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).