(2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate

C10H9ClFNO3 — CID 2427969

IUPAC(2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate
SMILESNC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H9ClFNO3/c11-7-2-1-3-8(12)6(7)4-10(15)16-5-9(13)14/h1-3H,4-5H2,(H2,13,14)
InChIKeyUUCDXYMFXKKELJ-UHFFFAOYSA-N
MW245.64 g/mol
LogP1.05
Rot. Bonds4

About (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate

(2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2427969) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2427969
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Name(2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate
SMILESNC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H9ClFNO3/c11-7-2-1-3-8(12)6(7)4-10(15)16-5-9(13)14/h1-3H,4-5H2,(H2,13,14)
InChIKeyUUCDXYMFXKKELJ-UHFFFAOYSA-N
XLogP1.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate (CID 2427969) is (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate is NC(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is UUCDXYMFXKKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c11-7-2-1-3-8(12)6(7)4-10(15)16-5-9(13)14/h1-3H,4-5H2,(H2,13,14).
What are the key properties of (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate?
(2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 245.64 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2427969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).