[1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate

C17H16FNO3 — CID 88720673

IUPAC[1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate
SMILESCC(=O)OC(Cc1ccccc1)(C(=O)NF)c1ccccc1
InChIInChI=1S/C17H16FNO3/c1-13(20)22-17(16(21)19-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyVWLNLCDUCSWWMQ-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.69
Rot. Bonds5

About [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate

[1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate (PubChem CID 88720673) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate
PubChem CID88720673
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name[1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate
SMILESCC(=O)OC(Cc1ccccc1)(C(=O)NF)c1ccccc1
InChIInChI=1S/C17H16FNO3/c1-13(20)22-17(16(21)19-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyVWLNLCDUCSWWMQ-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(1-Amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate
CID 3421461
2,3-Diphenyloxirane-2-carboxamide
CID 3434340
5,5-Diphenyl-2,4-oxazolidinedione
CID 77833
5-Oxo-2-phenyloxolane-2-carboximidic acid
CID 25939
3,3,3-Trifluoro-2-phenyl-2-phenylmethoxypropanamide
CID 21024131
3,3,3-Trifluoro-2-methoxy-2-phenylpropanamide
CID 287241
2,4-Oxazolidinedione, 5-nonyl-5-phenyl-
CID 11392514
2,4-Oxazolidinedione, 5-heptyl-5-phenyl-
CID 11403113
N-methyl-2-phenyl-2-phenylmethoxybutanamide
CID 12488716
ethyl N-methyl-N-(2-phenyl-2-phenylmethoxybutanoyl)carbamate
CID 12488717
(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 14318226
2-Amino-2-oxo-1-phenylethyl acetate
CID 226476

Frequently Asked Questions

What is the IUPAC name of [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate?
The IUPAC name of [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate (CID 88720673) is [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate.
What is the SMILES notation for [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate?
The canonical SMILES for [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate is CC(=O)OC(Cc1ccccc1)(C(=O)NF)c1ccccc1.
What is the InChIKey of [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate?
The InChIKey is VWLNLCDUCSWWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-13(20)22-17(16(21)19-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate?
[1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate has a molecular weight of 301.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(fluoroamino)-1-oxo-2,3-diphenylpropan-2-yl] acetate is sourced from PubChem (CID 88720673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).