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

C25H21ClN2O — CID 3491442

IUPAC1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H21ClN2O/c1-17-22(25(27)29)23(19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16H2,1H3,(H2,27,29)
InChIKeyAZQXDXCHIPYYDS-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.93
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide (PubChem CID 3491442) has the molecular formula C25H21ClN2O and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
PubChem CID3491442
Molecular FormulaC25H21ClN2O
Molecular Weight400.91 g/mol
Exact Mass400.13
IUPAC Name1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H21ClN2O/c1-17-22(25(27)29)23(19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16H2,1H3,(H2,27,29)
InChIKeyAZQXDXCHIPYYDS-UHFFFAOYSA-N
XLogP5.93
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491446
4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 162039743
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
CID 3773581
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
1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3814503
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3863874
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491439
1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
CID 3416100
2-[4-(4-chlorophenyl)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55774775

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide (CID 3491442) is 1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The InChIKey is AZQXDXCHIPYYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O/c1-17-22(25(27)29)23(19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16H2,1H3,(H2,27,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide is sourced from PubChem (CID 3491442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).