5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide

C24H27ClN2O — CID 46126620

IUPAC5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C24H27ClN2O/c1-15(2)17(4)26-24(28)21-14-23(19-10-12-20(25)13-11-19)27(18(21)5)22-9-7-6-8-16(22)3/h6-15,17H,1-5H3,(H,26,28)
InChIKeyDXYRWEAGDBQXSR-UHFFFAOYSA-N
MW394.95 g/mol
LogP6.19
Rot. Bonds5

About 5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide

5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide (PubChem CID 46126620) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide
PubChem CID46126620
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C24H27ClN2O/c1-15(2)17(4)26-24(28)21-14-23(19-10-12-20(25)13-11-19)27(18(21)5)22-9-7-6-8-16(22)3/h6-15,17H,1-5H3,(H,26,28)
InChIKeyDXYRWEAGDBQXSR-UHFFFAOYSA-N
XLogP6.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 56.19
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-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
CID 7230230
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7295044
[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213356
5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742338
[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 3990372
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
3-[[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]amino]butanoic acid
CID 119347913
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7288841
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 4315211

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide (CID 46126620) is 5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide is Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)NC(C)C(C)C)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is DXYRWEAGDBQXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O/c1-15(2)17(4)26-24(28)21-14-23(19-10-12-20(25)13-11-19)27(18(21)5)22-9-7-6-8-16(22)3/h6-15,17H,1-5H3,(H,26,28).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 394.95 g/mol, XLogP of 6.19, 5 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-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 46126620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).