2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide

C27H26N2O — CID 3860213

IUPAC2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(CCn2c(-c3ccc(-c4ccccc4)cc3)cc(C(N)=O)c2C)cc1
InChIInChI=1S/C27H26N2O/c1-19-8-10-21(11-9-19)16-17-29-20(2)25(27(28)30)18-26(29)24-14-12-23(13-15-24)22-6-4-3-5-7-22/h3-15,18H,16-17H2,1-2H3,(H2,28,30)
InChIKeyJGVHUOQJUYAXLG-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.78
Rot. Bonds6

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

2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide (PubChem CID 3860213) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
PubChem CID3860213
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(CCn2c(-c3ccc(-c4ccccc4)cc3)cc(C(N)=O)c2C)cc1
InChIInChI=1S/C27H26N2O/c1-19-8-10-21(11-9-19)16-17-29-20(2)25(27(28)30)18-26(29)24-14-12-23(13-15-24)22-6-4-3-5-7-22/h3-15,18H,16-17H2,1-2H3,(H2,28,30)
InChIKeyJGVHUOQJUYAXLG-UHFFFAOYSA-N
XLogP5.78
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081995
1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3752316
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
1-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3863533
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-[2-(3-chlorophenyl)ethyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3710804
1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811310

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide (CID 3860213) is 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide is Cc1ccc(CCn2c(-c3ccc(-c4ccccc4)cc3)cc(C(N)=O)c2C)cc1.
What is the InChIKey of 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide?
The InChIKey is JGVHUOQJUYAXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-19-8-10-21(11-9-19)16-17-29-20(2)25(27(28)30)18-26(29)24-14-12-23(13-15-24)22-6-4-3-5-7-22/h3-15,18H,16-17H2,1-2H3,(H2,28,30).
What are the key properties of 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide?
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3860213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).