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

C22H27FN2O2 — CID 4994352

IUPAC2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C22H27FN2O2/c1-15-20(16(2)26)13-21(17-9-11-18(23)12-10-17)25(15)14-22(27)24-19-7-5-3-4-6-8-19/h9-13,19H,3-8,14H2,1-2H3,(H,24,27)
InChIKeyFTQNRZDIUCMOHM-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.64
Rot. Bonds5

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

2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide (PubChem CID 4994352) 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-cycloheptylacetamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide
PubChem CID4994352
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C22H27FN2O2/c1-15-20(16(2)26)13-21(17-9-11-18(23)12-10-17)25(15)14-22(27)24-19-7-5-3-4-6-8-19/h9-13,19H,3-8,14H2,1-2H3,(H,24,27)
InChIKeyFTQNRZDIUCMOHM-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
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-cycloheptylacetamide?
The IUPAC name of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide (CID 4994352) is 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide is CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC2CCCCCC2)c1C.
What is the InChIKey of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide?
The InChIKey is FTQNRZDIUCMOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-15-20(16(2)26)13-21(17-9-11-18(23)12-10-17)25(15)14-22(27)24-19-7-5-3-4-6-8-19/h9-13,19H,3-8,14H2,1-2H3,(H,24,27).
What are the key properties of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide?
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-cycloheptylacetamide has a molecular weight of 370.47 g/mol, XLogP of 4.64, 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-cycloheptylacetamide is sourced from PubChem (CID 4994352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).