2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide

C24H20N2O2 — CID 53124150

IUPAC2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide
SMILESCc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H20N2O2/c1-17-11-13-18(14-12-17)16-26-15-5-10-22(26)23(27)24(28)25-21-9-4-7-19-6-2-3-8-20(19)21/h2-15H,16H2,1H3,(H,25,28)
InChIKeyTYYPPTNKGRNFRJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.82
Rot. Bonds5

About 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide

2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide (PubChem CID 53124150) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide
PubChem CID53124150
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide
SMILESCc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H20N2O2/c1-17-11-13-18(14-12-17)16-26-15-5-10-22(26)23(27)24(28)25-21-9-4-7-19-6-2-3-8-20(19)21/h2-15H,16H2,1H3,(H,25,28)
InChIKeyTYYPPTNKGRNFRJ-UHFFFAOYSA-N
XLogP4.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124108
N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124086
N-(5-chloro-2-methylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124078
N-(2-chloro-4-methylphenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124208
N-(2,5-dimethylphenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124203
N-(5-chloro-2-pyridinyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124066
N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124061
N-(3-chloro-4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124133
N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124080
N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide
CID 167814290
(4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone
CID 177375481
2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 53124303

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide (CID 53124150) is 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide is Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide?
The InChIKey is TYYPPTNKGRNFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17-11-13-18(14-12-17)16-26-15-5-10-22(26)23(27)24(28)25-21-9-4-7-19-6-2-3-8-20(19)21/h2-15H,16H2,1H3,(H,25,28).
What are the key properties of 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide?
2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide has a molecular weight of 368.44 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide is sourced from PubChem (CID 53124150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).