5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide

C23H26ClN3O — CID 42785639

IUPAC5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)NCCN(C)C)c2C)c1
InChIInChI=1S/C23H26ClN3O/c1-16-6-5-7-20(14-16)27-17(2)21(23(28)25-12-13-26(3)4)15-22(27)18-8-10-19(24)11-9-18/h5-11,14-15H,12-13H2,1-4H3,(H,25,28)
InChIKeyLINUGTUNXPDBOV-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.71
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide

5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide (PubChem CID 42785639) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide
PubChem CID42785639
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)NCCN(C)C)c2C)c1
InChIInChI=1S/C23H26ClN3O/c1-16-6-5-7-20(14-16)27-17(2)21(23(28)25-12-13-26(3)4)15-22(27)18-8-10-19(24)11-9-18/h5-11,14-15H,12-13H2,1-4H3,(H,25,28)
InChIKeyLINUGTUNXPDBOV-UHFFFAOYSA-N
XLogP4.71
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
CID 24894444
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7218711
5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 4209005
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium
CID 7306703
[4-[5-(4-chlorophenyl)-2-methyl-1-(3-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 3899954
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 42785629
2,5-dimethyl-N-[2-(methylamino)ethyl]-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119502830
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide (CID 42785639) is 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide is Cc1cccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)NCCN(C)C)c2C)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is LINUGTUNXPDBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-16-6-5-7-20(14-16)27-17(2)21(23(28)25-12-13-26(3)4)15-22(27)18-8-10-19(24)11-9-18/h5-11,14-15H,12-13H2,1-4H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 42785639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).