2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide

C22H22N2O2 — CID 3321229

IUPAC2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2cccc(C)c2)c1C
InChIInChI=1S/C22H22N2O2/c1-15-8-7-11-19(12-15)23-22(26)14-24-16(2)20(17(3)25)13-21(24)18-9-5-4-6-10-18/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyMTUMIDOGPRUSQB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.61
Rot. Bonds5

About 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 3321229) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID3321229
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2cccc(C)c2)c1C
InChIInChI=1S/C22H22N2O2/c1-15-8-7-11-19(12-15)23-22(26)14-24-16(2)20(17(3)25)13-21(24)18-9-5-4-6-10-18/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyMTUMIDOGPRUSQB-UHFFFAOYSA-N
XLogP4.61
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 3672749
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20969537
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide
CID 3665068
ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 3397645
ethyl 2,5-dimethyl-1-[2-(3-methylanilino)-2-oxoethyl]pyrrole-3-carboxylate
CID 9039178
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide
CID 5062404
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanone
CID 4206419
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide
CID 4994805
2-[6-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 87050622
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide (CID 3321229) is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide is CC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2cccc(C)c2)c1C.
What is the InChIKey of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is MTUMIDOGPRUSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-8-7-11-19(12-15)23-22(26)14-24-16(2)20(17(3)25)13-21(24)18-9-5-4-6-10-18/h4-13H,14H2,1-3H3,(H,23,26).
What are the key properties of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide?
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3321229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).