N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide

C27H26N2O2 — CID 7307045

IUPACN-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)c(C)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O2/c1-19-9-13-23(14-10-19)29-20(2)25(27(30)28-18-21-7-5-4-6-8-21)17-26(29)22-11-15-24(31-3)16-12-22/h4-17H,18H2,1-3H3,(H,28,30)
InChIKeyKGUOYCONBBSBLH-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.70
Rot. Bonds6

About N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide

N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide (PubChem CID 7307045) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
PubChem CID7307045
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)c(C)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O2/c1-19-9-13-23(14-10-19)29-20(2)25(27(30)28-18-21-7-5-4-6-8-21)17-26(29)22-11-15-24(31-3)16-12-22/h4-17H,18H2,1-3H3,(H,28,30)
InChIKeyKGUOYCONBBSBLH-UHFFFAOYSA-N
XLogP5.70
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.70
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

N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
CID 7231138
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 24617865
5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 42785571
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrrole-3-carboxamide
CID 55961916
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7306819
N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 24718469
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide (CID 7307045) is N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccccc3)c(C)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is KGUOYCONBBSBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-19-9-13-23(14-10-19)29-20(2)25(27(30)28-18-21-7-5-4-6-8-21)17-26(29)22-11-15-24(31-3)16-12-22/h4-17H,18H2,1-3H3,(H,28,30).
What are the key properties of N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 7307045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).