[2-fluoro-4-(methylcarbamoyl)phenyl] acetate

C10H10FNO3 — CID 165120813

IUPAC[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
SMILESCNC(=O)c1ccc(OC(C)=O)c(F)c1
InChIInChI=1S/C10H10FNO3/c1-6(13)15-9-4-3-7(5-8(9)11)10(14)12-2/h3-5H,1-2H3,(H,12,14)
InChIKeyOMCKPLUQTPBNEM-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.11
Rot. Bonds2

About [2-fluoro-4-(methylcarbamoyl)phenyl] acetate

[2-fluoro-4-(methylcarbamoyl)phenyl] acetate (PubChem CID 165120813) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is [2-fluoro-4-(methylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
PubChem CID165120813
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
SMILESCNC(=O)c1ccc(OC(C)=O)c(F)c1
InChIInChI=1S/C10H10FNO3/c1-6(13)15-9-4-3-7(5-8(9)11)10(14)12-2/h3-5H,1-2H3,(H,12,14)
InChIKeyOMCKPLUQTPBNEM-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(methylcarbamoyl)phenyl] acetate?
The IUPAC name of [2-fluoro-4-(methylcarbamoyl)phenyl] acetate (CID 165120813) is [2-fluoro-4-(methylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [2-fluoro-4-(methylcarbamoyl)phenyl] acetate?
The canonical SMILES for [2-fluoro-4-(methylcarbamoyl)phenyl] acetate is CNC(=O)c1ccc(OC(C)=O)c(F)c1.
What is the InChIKey of [2-fluoro-4-(methylcarbamoyl)phenyl] acetate?
The InChIKey is OMCKPLUQTPBNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-6(13)15-9-4-3-7(5-8(9)11)10(14)12-2/h3-5H,1-2H3,(H,12,14).
What are the key properties of [2-fluoro-4-(methylcarbamoyl)phenyl] acetate?
[2-fluoro-4-(methylcarbamoyl)phenyl] acetate has a molecular weight of 211.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(methylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 165120813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).