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

C24H26ClN3O2 — CID 7306840

IUPAC5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C24H26ClN3O2/c1-18-22(24(29)26-11-12-27-13-15-30-16-14-27)17-23(19-7-9-20(25)10-8-19)28(18)21-5-3-2-4-6-21/h2-10,17H,11-16H2,1H3,(H,26,29)
InChIKeyVODQKCYKILSUJO-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.17
Rot. Bonds6

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

5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide (PubChem CID 7306840) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
PubChem CID7306840
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C24H26ClN3O2/c1-18-22(24(29)26-11-12-27-13-15-30-16-14-27)17-23(19-7-9-20(25)10-8-19)28(18)21-5-3-2-4-6-21/h2-10,17H,11-16H2,1H3,(H,26,29)
InChIKeyVODQKCYKILSUJO-UHFFFAOYSA-N
XLogP4.17
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 42785629
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
CID 7218541
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide (CID 7306840) is 5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The InChIKey is VODQKCYKILSUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-18-22(24(29)26-11-12-27-13-15-30-16-14-27)17-23(19-7-9-20(25)10-8-19)28(18)21-5-3-2-4-6-21/h2-10,17H,11-16H2,1H3,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 4.17, 6 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-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 7306840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).