3-(4-acetyl-3-fluorophenoxy)azepan-2-one

C14H16FNO3 — CID 107719380

IUPAC3-(4-acetyl-3-fluorophenoxy)azepan-2-one
SMILESCC(=O)c1ccc(OC2CCCCNC2=O)cc1F
InChIInChI=1S/C14H16FNO3/c1-9(17)11-6-5-10(8-12(11)15)19-13-4-2-3-7-16-14(13)18/h5-6,8,13H,2-4,7H2,1H3,(H,16,18)
InChIKeyPZCZBSLWNXLOFI-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.08
Rot. Bonds3

About 3-(4-acetyl-3-fluorophenoxy)azepan-2-one

3-(4-acetyl-3-fluorophenoxy)azepan-2-one (PubChem CID 107719380) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-(4-acetyl-3-fluorophenoxy)azepan-2-one.

Molecular Properties

Compound Name3-(4-acetyl-3-fluorophenoxy)azepan-2-one
PubChem CID107719380
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-(4-acetyl-3-fluorophenoxy)azepan-2-one
SMILESCC(=O)c1ccc(OC2CCCCNC2=O)cc1F
InChIInChI=1S/C14H16FNO3/c1-9(17)11-6-5-10(8-12(11)15)19-13-4-2-3-7-16-14(13)18/h5-6,8,13H,2-4,7H2,1H3,(H,16,18)
InChIKeyPZCZBSLWNXLOFI-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]azepan-2-one
CID 107716929
3-(2-oxoazepan-3-yl)oxybenzoic acid
CID 43176358
3-[3-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one
CID 55189361
3-[(3-oxo-1-benzofuran-6-yl)oxy]azepan-2-one
CID 63094843
2-methyl-4-(2-oxoazepan-3-yl)oxybenzenesulfonamide
CID 82914661
3-[4-(2-fluoro-4-nitrophenoxy)phenoxy]azepan-2-one
CID 133287310
N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide
CID 95290042
3-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one
CID 78932648
3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one
CID 43279877
3-(2-acetylphenoxy)pyrrolidin-2-one
CID 117051792
3-[3-(trifluoromethyl)phenoxy]piperidin-2-one
CID 138484952
[4-(2-oxoazepan-3-yl)oxyphenyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 102555852

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3-fluorophenoxy)azepan-2-one?
The IUPAC name of 3-(4-acetyl-3-fluorophenoxy)azepan-2-one (CID 107719380) is 3-(4-acetyl-3-fluorophenoxy)azepan-2-one.
What is the SMILES notation for 3-(4-acetyl-3-fluorophenoxy)azepan-2-one?
The canonical SMILES for 3-(4-acetyl-3-fluorophenoxy)azepan-2-one is CC(=O)c1ccc(OC2CCCCNC2=O)cc1F.
What is the InChIKey of 3-(4-acetyl-3-fluorophenoxy)azepan-2-one?
The InChIKey is PZCZBSLWNXLOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9(17)11-6-5-10(8-12(11)15)19-13-4-2-3-7-16-14(13)18/h5-6,8,13H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 3-(4-acetyl-3-fluorophenoxy)azepan-2-one?
3-(4-acetyl-3-fluorophenoxy)azepan-2-one has a molecular weight of 265.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3-fluorophenoxy)azepan-2-one is sourced from PubChem (CID 107719380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).