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

C26H30ClN3O2 — CID 42785629

IUPAC5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
SMILESCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)NCCCN3CCOCC3)c2C)cc1
InChIInChI=1S/C26H30ClN3O2/c1-19-4-10-23(11-5-19)30-20(2)24(18-25(30)21-6-8-22(27)9-7-21)26(31)28-12-3-13-29-14-16-32-17-15-29/h4-11,18H,3,12-17H2,1-2H3,(H,28,31)
InChIKeyXJVWLDDJUNXTKD-UHFFFAOYSA-N
MW452.00 g/mol
LogP4.87
Rot. Bonds7

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

5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide (PubChem CID 42785629) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
PubChem CID42785629
Molecular FormulaC26H30ClN3O2
Molecular Weight452.00 g/mol
Exact Mass451.20
IUPAC Name5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
SMILESCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)NCCCN3CCOCC3)c2C)cc1
InChIInChI=1S/C26H30ClN3O2/c1-19-4-10-23(11-5-19)30-20(2)24(18-25(30)21-6-8-22(27)9-7-21)26(31)28-12-3-13-29-14-16-32-17-15-29/h4-11,18H,3,12-17H2,1-2H3,(H,28,31)
InChIKeyXJVWLDDJUNXTKD-UHFFFAOYSA-N
XLogP4.87
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
CID 7218541
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
1-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-triazole-3-carboxamide
CID 78824722
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605
2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium
CID 7306703
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618
7-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440419
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)pyrrole-3-carboxamide
CID 7307029

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide (CID 42785629) is 5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide is Cc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)NCCCN3CCOCC3)c2C)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
The InChIKey is XJVWLDDJUNXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2/c1-19-4-10-23(11-5-19)30-20(2)24(18-25(30)21-6-8-22(27)9-7-21)26(31)28-12-3-13-29-14-16-32-17-15-29/h4-11,18H,3,12-17H2,1-2H3,(H,28,31).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide has a molecular weight of 452.00 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide is sourced from PubChem (CID 42785629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).