(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate

C17H14FNO5 — CID 8702579

IUPAC(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1F
InChIInChI=1S/C17H14FNO5/c1-23-14-8-7-12(9-13(14)18)17(22)24-10-15(20)19-16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyLUURIZMWNYEBOL-UHFFFAOYSA-N
MW331.30 g/mol
LogP1.95
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate

(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate (PubChem CID 8702579) has the molecular formula C17H14FNO5 and a molecular weight of 331.30 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate
PubChem CID8702579
Molecular FormulaC17H14FNO5
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1F
InChIInChI=1S/C17H14FNO5/c1-23-14-8-7-12(9-13(14)18)17(22)24-10-15(20)19-16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyLUURIZMWNYEBOL-UHFFFAOYSA-N
XLogP1.95
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate
CID 2600245
(2-benzamido-2-oxoethyl) 4-butoxy-3-methoxybenzoate
CID 42969317
(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619174
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540649
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991562
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 7522915
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540699
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 8702272
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702748
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 9380501
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7991426
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903294

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate (CID 8702579) is (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1F.
What is the InChIKey of (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate?
The InChIKey is LUURIZMWNYEBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO5/c1-23-14-8-7-12(9-13(14)18)17(22)24-10-15(20)19-16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20,21).
What are the key properties of (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate?
(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate has a molecular weight of 331.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 8702579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).