2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide

C23H23FN2O2 — CID 3672186

IUPAC2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)cc(C(C)=O)c2C)c1
InChIInChI=1S/C23H23FN2O2/c1-4-17-6-5-7-20(12-17)25-23(28)14-26-15(2)21(16(3)27)13-22(26)18-8-10-19(24)11-9-18/h5-13H,4,14H2,1-3H3,(H,25,28)
InChIKeyUFTNMYHVWNRRIL-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.01
Rot. Bonds6

About 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide

2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 3672186) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID3672186
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)cc(C(C)=O)c2C)c1
InChIInChI=1S/C23H23FN2O2/c1-4-17-6-5-7-20(12-17)25-23(28)14-26-15(2)21(16(3)27)13-22(26)18-8-10-19(24)11-9-18/h5-13H,4,14H2,1-3H3,(H,25,28)
InChIKeyUFTNMYHVWNRRIL-UHFFFAOYSA-N
XLogP5.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide (CID 3672186) is 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)cc(C(C)=O)c2C)c1.
What is the InChIKey of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is UFTNMYHVWNRRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-4-17-6-5-7-20(12-17)25-23(28)14-26-15(2)21(16(3)27)13-22(26)18-8-10-19(24)11-9-18/h5-13H,4,14H2,1-3H3,(H,25,28).
What are the key properties of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide?
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 3672186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).