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

C22H27FN2O2 — CID 3543772

IUPAC2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC2CCC(C)CC2)c1C
InChIInChI=1S/C22H27FN2O2/c1-14-4-10-19(11-5-14)24-22(27)13-25-15(2)20(16(3)26)12-21(25)17-6-8-18(23)9-7-17/h6-9,12,14,19H,4-5,10-11,13H2,1-3H3,(H,24,27)
InChIKeyHDEGLPYPTHSDSY-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.50
Rot. Bonds5

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

2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 3543772) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID3543772
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC2CCC(C)CC2)c1C
InChIInChI=1S/C22H27FN2O2/c1-14-4-10-19(11-5-14)24-22(27)13-25-15(2)20(16(3)26)12-21(25)17-6-8-18(23)9-7-17/h6-9,12,14,19H,4-5,10-11,13H2,1-3H3,(H,24,27)
InChIKeyHDEGLPYPTHSDSY-UHFFFAOYSA-N
XLogP4.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.50
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-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 3543772) is 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide is CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC2CCC(C)CC2)c1C.
What is the InChIKey of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is HDEGLPYPTHSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-14-4-10-19(11-5-14)24-22(27)13-25-15(2)20(16(3)26)12-21(25)17-6-8-18(23)9-7-17/h6-9,12,14,19H,4-5,10-11,13H2,1-3H3,(H,24,27).
What are the key properties of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 4.50, 5 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-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 3543772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).