fluoro 2-acetamido-3-phenylpropanoate

C11H12FNO3 — CID 171034994

IUPACfluoro 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)OF
InChIInChI=1S/C11H12FNO3/c1-8(14)13-10(11(15)16-12)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
InChIKeyXGLPZTRCHMSPLN-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.16
Rot. Bonds4

About fluoro 2-acetamido-3-phenylpropanoate

fluoro 2-acetamido-3-phenylpropanoate (PubChem CID 171034994) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is fluoro 2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Namefluoro 2-acetamido-3-phenylpropanoate
PubChem CID171034994
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namefluoro 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)OF
InChIInChI=1S/C11H12FNO3/c1-8(14)13-10(11(15)16-12)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
InChIKeyXGLPZTRCHMSPLN-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
tert-butyl 2-acetamido-3-phenylpropanoate
CID 70959830
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate
CID 25192392
(2-amino-2-sulfanylideneethyl) (2R)-2-acetamido-3-phenylpropanoate
CID 102030710
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680450
N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate
CID 91577350
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate
CID 2913195

Frequently Asked Questions

What is the IUPAC name of fluoro 2-acetamido-3-phenylpropanoate?
The IUPAC name of fluoro 2-acetamido-3-phenylpropanoate (CID 171034994) is fluoro 2-acetamido-3-phenylpropanoate.
What is the SMILES notation for fluoro 2-acetamido-3-phenylpropanoate?
The canonical SMILES for fluoro 2-acetamido-3-phenylpropanoate is CC(=O)NC(Cc1ccccc1)C(=O)OF.
What is the InChIKey of fluoro 2-acetamido-3-phenylpropanoate?
The InChIKey is XGLPZTRCHMSPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-8(14)13-10(11(15)16-12)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14).
What are the key properties of fluoro 2-acetamido-3-phenylpropanoate?
fluoro 2-acetamido-3-phenylpropanoate has a molecular weight of 225.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 171034994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).