(2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate

C17H14FNO4 — CID 7759086

IUPAC(2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H14FNO4/c18-14-8-6-12(7-9-14)10-16(21)23-11-15(20)19-17(22)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,20,22)
InChIKeyDGSXHSSUQZWGIJ-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.87
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate

(2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate (PubChem CID 7759086) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate
PubChem CID7759086
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name(2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H14FNO4/c18-14-8-6-12(7-9-14)10-16(21)23-11-15(20)19-17(22)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,20,22)
InChIKeyDGSXHSSUQZWGIJ-UHFFFAOYSA-N
XLogP1.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.87
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-(4-fluorophenyl)acetate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate (CID 7759086) is (2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate?
The InChIKey is DGSXHSSUQZWGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c18-14-8-6-12(7-9-14)10-16(21)23-11-15(20)19-17(22)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,20,22).
What are the key properties of (2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate?
(2-benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate has a molecular weight of 315.30 g/mol, XLogP of 1.87, 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-(4-fluorophenyl)acetate is sourced from PubChem (CID 7759086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).