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

C17H13ClFNO4 — CID 16523062

IUPAC(2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C17H13ClFNO4/c18-13-7-4-8-14(19)12(13)9-16(22)24-10-15(21)20-17(23)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,21,23)
InChIKeyUVIYLSILVIEHEA-UHFFFAOYSA-N
MW349.75 g/mol
LogP2.52
Rot. Bonds5

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

(2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 16523062) has the molecular formula C17H13ClFNO4 and a molecular weight of 349.75 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID16523062
Molecular FormulaC17H13ClFNO4
Molecular Weight349.75 g/mol
Exact Mass349.05
IUPAC Name(2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C17H13ClFNO4/c18-13-7-4-8-14(19)12(13)9-16(22)24-10-15(21)20-17(23)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,21,23)
InChIKeyUVIYLSILVIEHEA-UHFFFAOYSA-N
XLogP2.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate (CID 16523062) is (2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate is O=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is UVIYLSILVIEHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO4/c18-13-7-4-8-14(19)12(13)9-16(22)24-10-15(21)20-17(23)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,21,23).
What are the key properties of (2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate?
(2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 349.75 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 16523062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).