5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide

C25H21ClN2O — CID 2742338

IUPAC5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C
InChIInChI=1S/C25H21ClN2O/c1-17-8-6-7-11-23(17)27-25(29)22-16-24(19-12-14-20(26)15-13-19)28(18(22)2)21-9-4-3-5-10-21/h3-16H,1-2H3,(H,27,29)
InChIKeyKHKVFZLYXWMLNU-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.67
Rot. Bonds4

About 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide

5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide (PubChem CID 2742338) has the molecular formula C25H21ClN2O and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
PubChem CID2742338
Molecular FormulaC25H21ClN2O
Molecular Weight400.91 g/mol
Exact Mass400.13
IUPAC Name5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C
InChIInChI=1S/C25H21ClN2O/c1-17-8-6-7-11-23(17)27-25(29)22-16-24(19-12-14-20(26)15-13-19)28(18(22)2)21-9-4-3-5-10-21/h3-16H,1-2H3,(H,27,29)
InChIKeyKHKVFZLYXWMLNU-UHFFFAOYSA-N
XLogP6.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 46126620
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide
CID 10093631
1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide
CID 9182741
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide (CID 2742338) is 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide is Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide?
The InChIKey is KHKVFZLYXWMLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O/c1-17-8-6-7-11-23(17)27-25(29)22-16-24(19-12-14-20(26)15-13-19)28(18(22)2)21-9-4-3-5-10-21/h3-16H,1-2H3,(H,27,29).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 2742338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).