2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide

C21H20N2O2 — CID 22515358

IUPAC2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
SMILESCc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3)c2C)cc1
InChIInChI=1S/C21H20N2O2/c1-14-9-11-18(12-10-14)23-15(2)13-19(16(23)3)20(24)21(25)22-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,25)
InChIKeyVDAXQLDBHCXQHP-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.22
Rot. Bonds4

About 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide

2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide (PubChem CID 22515358) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
PubChem CID22515358
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
SMILESCc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3)c2C)cc1
InChIInChI=1S/C21H20N2O2/c1-14-9-11-18(12-10-14)23-15(2)13-19(16(23)3)20(24)21(25)22-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,25)
InChIKeyVDAXQLDBHCXQHP-UHFFFAOYSA-N
XLogP4.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide
CID 22515509
2-cyano-3-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-N-(4-methylphenyl)prop-2-enamide
CID 3340106
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 110655035
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-iodoethanone
CID 90316003
N-(3-chloro-4-methoxyphenyl)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoacetamide
CID 22515506
N-(2-anilino-2-oxoethyl)-1-(4-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55639307
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560
[[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid
CID 2322164
2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide
CID 22515412
2-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 22515492

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide (CID 22515358) is 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide is Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3)c2C)cc1.
What is the InChIKey of 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide?
The InChIKey is VDAXQLDBHCXQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-9-11-18(12-10-14)23-15(2)13-19(16(23)3)20(24)21(25)22-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,25).
What are the key properties of 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide?
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide has a molecular weight of 332.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 22515358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).