3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide

C24H25FN2O2 — CID 5062404

IUPAC3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C24H25FN2O2/c1-15-11-16(2)13-21(12-15)26-24(29)9-10-27-17(3)22(18(4)28)14-23(27)19-5-7-20(25)8-6-19/h5-8,11-14H,9-10H2,1-4H3,(H,26,29)
InChIKeyBLVUYRLKHCGNJU-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.45
Rot. Bonds6

About 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide

3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 5062404) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide
PubChem CID5062404
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C24H25FN2O2/c1-15-11-16(2)13-21(12-15)26-24(29)9-10-27-17(3)22(18(4)28)14-23(27)19-5-7-20(25)8-6-19/h5-8,11-14H,9-10H2,1-4H3,(H,26,29)
InChIKeyBLVUYRLKHCGNJU-UHFFFAOYSA-N
XLogP5.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 5061569
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide
CID 4994805
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide
CID 3665068
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide
CID 3321229
3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide
CID 46374782
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-1-(azepan-1-yl)ethanone
CID 3328103
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3243313
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126915
3-[3-[2-(dimethylamino)acetyl]-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]propanoic acid
CID 170895761
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796

Frequently Asked Questions

What is the IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide (CID 5062404) is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide is CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)cc(C)c2)c1C.
What is the InChIKey of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is BLVUYRLKHCGNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-15-11-16(2)13-21(12-15)26-24(29)9-10-27-17(3)22(18(4)28)14-23(27)19-5-7-20(25)8-6-19/h5-8,11-14H,9-10H2,1-4H3,(H,26,29).
What are the key properties of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide?
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 392.47 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 5062404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).