2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide

C20H20N2O — CID 2368804

IUPAC2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H20N2O/c1-14-9-11-17(12-10-14)21-20(23)19-13-15(2)22(16(19)3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,23)
InChIKeyPHEHYVPQUHDIAN-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.65
Rot. Bonds3

About 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide

2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide (PubChem CID 2368804) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide
PubChem CID2368804
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H20N2O/c1-14-9-11-17(12-10-14)21-20(23)19-13-15(2)22(16(19)3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,23)
InChIKeyPHEHYVPQUHDIAN-UHFFFAOYSA-N
XLogP4.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide (CID 2368804) is 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1.
What is the InChIKey of 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide?
The InChIKey is PHEHYVPQUHDIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-9-11-17(12-10-14)21-20(23)19-13-15(2)22(16(19)3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,23).
What are the key properties of 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide?
2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 2368804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).