N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide

C17H16FNO3 — CID 70814155

IUPACN-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide
SMILESCC1OC(C(C(=O)Nc2ccc(F)cc2)c2ccccc2)O1
InChIInChI=1S/C17H16FNO3/c1-11-21-17(22-11)15(12-5-3-2-4-6-12)16(20)19-14-9-7-13(18)8-10-14/h2-11,15,17H,1H3,(H,19,20)
InChIKeyWACIKEICJYSPOO-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.27
Rot. Bonds4

About N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide

N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide (PubChem CID 70814155) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide
PubChem CID70814155
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC NameN-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide
SMILESCC1OC(C(C(=O)Nc2ccc(F)cc2)c2ccccc2)O1
InChIInChI=1S/C17H16FNO3/c1-11-21-17(22-11)15(12-5-3-2-4-6-12)16(20)19-14-9-7-13(18)8-10-14/h2-11,15,17H,1H3,(H,19,20)
InChIKeyWACIKEICJYSPOO-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide
CID 70819815
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
CID 42902056
[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium
CID 9307429
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 7725604
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516849
2-amino-2-(4-fluorophenyl)-N-phenylacetamide
CID 123261896

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide (CID 70814155) is N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide is CC1OC(C(C(=O)Nc2ccc(F)cc2)c2ccccc2)O1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide?
The InChIKey is WACIKEICJYSPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-11-21-17(22-11)15(12-5-3-2-4-6-12)16(20)19-14-9-7-13(18)8-10-14/h2-11,15,17H,1H3,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide?
N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide has a molecular weight of 301.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide is sourced from PubChem (CID 70814155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).