5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide

C21H21ClN2O — CID 7307046

IUPAC5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C
InChIInChI=1S/C21H21ClN2O/c1-3-13-23-21(25)19-14-20(16-9-11-17(22)12-10-16)24(15(19)2)18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3,(H,23,25)
InChIKeyFHHVNYFDUKMBGQ-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.25
Rot. Bonds5

About 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide

5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide (PubChem CID 7307046) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
PubChem CID7307046
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C
InChIInChI=1S/C21H21ClN2O/c1-3-13-23-21(25)19-14-20(16-9-11-17(22)12-10-16)24(15(19)2)18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3,(H,23,25)
InChIKeyFHHVNYFDUKMBGQ-UHFFFAOYSA-N
XLogP5.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
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
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742338
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 42785639
2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium
CID 7306703
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7213171
5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7218711
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide (CID 7307046) is 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide is CCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide?
The InChIKey is FHHVNYFDUKMBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-3-13-23-21(25)19-14-20(16-9-11-17(22)12-10-16)24(15(19)2)18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3,(H,23,25).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide is sourced from PubChem (CID 7307046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).