5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide

C21H21ClN2O — CID 7213689

IUPAC5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C21H21ClN2O/c1-14(2)23-21(25)19-13-20(16-9-11-17(22)12-10-16)24(15(19)3)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,25)
InChIKeyADPGKOILCYIWIR-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.24
Rot. Bonds4

About 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide

5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide (PubChem CID 7213689) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
PubChem CID7213689
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C21H21ClN2O/c1-14(2)23-21(25)19-13-20(16-9-11-17(22)12-10-16)24(15(19)3)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,25)
InChIKeyADPGKOILCYIWIR-UHFFFAOYSA-N
XLogP5.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.24
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)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742338
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 46126620
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
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
N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7295044
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)pyrrole-3-carboxamide
CID 7307029
5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 42665947

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide (CID 7213689) is 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide is Cc1c(C(=O)NC(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is ADPGKOILCYIWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-14(2)23-21(25)19-13-20(16-9-11-17(22)12-10-16)24(15(19)3)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,25).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 5.24, 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-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 7213689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).