methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate

C11H13ClFNO3 — CID 71254990

IUPACmethyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate
SMILESCOC(=O)CN(CCO)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO3/c1-17-10(16)7-14(5-6-15)9-4-2-3-8(12)11(9)13/h2-4,15H,5-7H2,1H3
InChIKeyLHXISTPHFIDOEN-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.45
Rot. Bonds5

About methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate

methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate (PubChem CID 71254990) has the molecular formula C11H13ClFNO3 and a molecular weight of 261.68 g/mol. Its IUPAC name is methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate
PubChem CID71254990
Molecular FormulaC11H13ClFNO3
Molecular Weight261.68 g/mol
Exact Mass261.06
IUPAC Namemethyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate
SMILESCOC(=O)CN(CCO)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO3/c1-17-10(16)7-14(5-6-15)9-4-2-3-8(12)11(9)13/h2-4,15H,5-7H2,1H3
InChIKeyLHXISTPHFIDOEN-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate?
The IUPAC name of methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate (CID 71254990) is methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate.
What is the SMILES notation for methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate?
The canonical SMILES for methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate is COC(=O)CN(CCO)c1cccc(Cl)c1F.
What is the InChIKey of methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate?
The InChIKey is LHXISTPHFIDOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3/c1-17-10(16)7-14(5-6-15)9-4-2-3-8(12)11(9)13/h2-4,15H,5-7H2,1H3.
What are the key properties of methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate?
methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate has a molecular weight of 261.68 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate is sourced from PubChem (CID 71254990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).