4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide

C20H23FN2O3 — CID 71886816

IUPAC4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)n(C)c1
InChIInChI=1S/C20H23FN2O3/c1-14(24)15-10-18(23(2)12-15)19(25)22-13-20(6-8-26-9-7-20)16-4-3-5-17(21)11-16/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,25)
InChIKeyWSZKBQANWWDBKU-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.85
Rot. Bonds5

About 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide

4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 71886816) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID71886816
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)n(C)c1
InChIInChI=1S/C20H23FN2O3/c1-14(24)15-10-18(23(2)12-15)19(25)22-13-20(6-8-26-9-7-20)16-4-3-5-17(21)11-16/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,25)
InChIKeyWSZKBQANWWDBKU-UHFFFAOYSA-N
XLogP2.85
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176502841
1-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131935945
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 118776703
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976130
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 146085697
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948249
6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510129

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 71886816) is 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)n(C)c1.
What is the InChIKey of 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is WSZKBQANWWDBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14(24)15-10-18(23(2)12-15)19(25)22-13-20(6-8-26-9-7-20)16-4-3-5-17(21)11-16/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,25).
What are the key properties of 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71886816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).