1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide

C18H13Cl3N2O — CID 69057259

IUPAC1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl3N2O/c1-10-15(18(22)24)9-17(14-7-4-12(20)8-16(14)21)23(10)13-5-2-11(19)3-6-13/h2-9H,1H3,(H2,22,24)
InChIKeyYAEDEJQDDXHOCR-UHFFFAOYSA-N
MW379.67 g/mol
LogP5.51
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide

1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 69057259) has the molecular formula C18H13Cl3N2O and a molecular weight of 379.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide
PubChem CID69057259
Molecular FormulaC18H13Cl3N2O
Molecular Weight379.67 g/mol
Exact Mass378.01
IUPAC Name1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl3N2O/c1-10-15(18(22)24)9-17(14-7-4-12(20)8-16(14)21)23(10)13-5-2-11(19)3-6-13/h2-9H,1H3,(H2,22,24)
InChIKeyYAEDEJQDDXHOCR-UHFFFAOYSA-N
XLogP5.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 55.51
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide (CID 69057259) is 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is YAEDEJQDDXHOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O/c1-10-15(18(22)24)9-17(14-7-4-12(20)8-16(14)21)23(10)13-5-2-11(19)3-6-13/h2-9H,1H3,(H2,22,24).
What are the key properties of 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide?
1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 379.67 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 69057259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).