5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide

C24H18Cl2N2O — CID 10093631

IUPAC5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1
InChIInChI=1S/C24H18Cl2N2O/c1-16-21(24(29)27-18-8-4-2-5-9-18)15-23(20-13-12-17(25)14-22(20)26)28(16)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,29)
InChIKeyGFUYNRCUKFSYFF-UHFFFAOYSA-N
MW421.33 g/mol
LogP7.01
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide

5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide (PubChem CID 10093631) has the molecular formula C24H18Cl2N2O and a molecular weight of 421.33 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide
PubChem CID10093631
Molecular FormulaC24H18Cl2N2O
Molecular Weight421.33 g/mol
Exact Mass420.08
IUPAC Name5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1
InChIInChI=1S/C24H18Cl2N2O/c1-16-21(24(29)27-18-8-4-2-5-9-18)15-23(20-13-12-17(25)14-22(20)26)28(16)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,29)
InChIKeyGFUYNRCUKFSYFF-UHFFFAOYSA-N
XLogP7.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.33
LogP ≤ 57.01
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

1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide
CID 69057259
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742338
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108728639
N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide
CID 11583370
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-(2,4-dichlorophenyl)-2-methyl-1-[4-(3,3,3-trifluoropropoxy)phenyl]pyrrole-3-carboxylic acid
CID 59671879
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
5-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-2-fluorobenzamide
CID 46615911
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691306

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide (CID 10093631) is 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccccc2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide?
The InChIKey is GFUYNRCUKFSYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O/c1-16-21(24(29)27-18-8-4-2-5-9-18)15-23(20-13-12-17(25)14-22(20)26)28(16)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,29).
What are the key properties of 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide?
5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide has a molecular weight of 421.33 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide is sourced from PubChem (CID 10093631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).