methyl 2-acetamido-2-(3-fluorophenyl)acetate

C11H12FNO3 — CID 116860635

IUPACmethyl 2-acetamido-2-(3-fluorophenyl)acetate
SMILESCOC(=O)C(NC(C)=O)c1cccc(F)c1
InChIInChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16-2)8-4-3-5-9(12)6-8/h3-6,10H,1-2H3,(H,13,14)
InChIKeyKMWIABNBXPEIEE-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.18
Rot. Bonds3

About methyl 2-acetamido-2-(3-fluorophenyl)acetate

methyl 2-acetamido-2-(3-fluorophenyl)acetate (PubChem CID 116860635) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 2-acetamido-2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-acetamido-2-(3-fluorophenyl)acetate
PubChem CID116860635
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-acetamido-2-(3-fluorophenyl)acetate
SMILESCOC(=O)C(NC(C)=O)c1cccc(F)c1
InChIInChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16-2)8-4-3-5-9(12)6-8/h3-6,10H,1-2H3,(H,13,14)
InChIKeyKMWIABNBXPEIEE-UHFFFAOYSA-N
XLogP1.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
methyl 2-acetamido-3-(3-fluoro-N-methylanilino)propanoate
CID 65473627
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2-(3-fluorophenyl)acetate?
The IUPAC name of methyl 2-acetamido-2-(3-fluorophenyl)acetate (CID 116860635) is methyl 2-acetamido-2-(3-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-acetamido-2-(3-fluorophenyl)acetate?
The canonical SMILES for methyl 2-acetamido-2-(3-fluorophenyl)acetate is COC(=O)C(NC(C)=O)c1cccc(F)c1.
What is the InChIKey of methyl 2-acetamido-2-(3-fluorophenyl)acetate?
The InChIKey is KMWIABNBXPEIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16-2)8-4-3-5-9(12)6-8/h3-6,10H,1-2H3,(H,13,14).
What are the key properties of methyl 2-acetamido-2-(3-fluorophenyl)acetate?
methyl 2-acetamido-2-(3-fluorophenyl)acetate has a molecular weight of 225.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2-(3-fluorophenyl)acetate is sourced from PubChem (CID 116860635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).