1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide

C26H24N2O2 — CID 3491446

IUPAC1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
SMILESCOc1ccc(Cn2c(C)c(C(N)=O)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-23(26(27)29)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)28(18)17-19-13-15-22(30-2)16-14-19/h3-16H,17H2,1-2H3,(H2,27,29)
InChIKeyBZPSQFWBVPSCOA-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.29
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide

1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide (PubChem CID 3491446) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
PubChem CID3491446
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
SMILESCOc1ccc(Cn2c(C)c(C(N)=O)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-23(26(27)29)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)28(18)17-19-13-15-22(30-2)16-14-19/h3-16H,17H2,1-2H3,(H2,27,29)
InChIKeyBZPSQFWBVPSCOA-UHFFFAOYSA-N
XLogP5.29
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491439
methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3730856
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 4669918
4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 162039743
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3814503
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
CID 3773581
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide (CID 3491446) is 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide is COc1ccc(Cn2c(C)c(C(N)=O)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The InChIKey is BZPSQFWBVPSCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-23(26(27)29)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)28(18)17-19-13-15-22(30-2)16-14-19/h3-16H,17H2,1-2H3,(H2,27,29).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide is sourced from PubChem (CID 3491446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).