[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate

C17H13F2NO5 — CID 2515349

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H13F2NO5/c1-24-13-8-3-2-5-10(13)16(22)20-14(21)9-25-17(23)15-11(18)6-4-7-12(15)19/h2-8H,9H2,1H3,(H,20,21,22)
InChIKeyRRGVGQQEMDRONY-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.09
Rot. Bonds5

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate (PubChem CID 2515349) has the molecular formula C17H13F2NO5 and a molecular weight of 349.29 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate
PubChem CID2515349
Molecular FormulaC17H13F2NO5
Molecular Weight349.29 g/mol
Exact Mass349.08
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H13F2NO5/c1-24-13-8-3-2-5-10(13)16(22)20-14(21)9-25-17(23)15-11(18)6-4-7-12(15)19/h2-8H,9H2,1H3,(H,20,21,22)
InChIKeyRRGVGQQEMDRONY-UHFFFAOYSA-N
XLogP2.09
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725646
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776378
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2635522
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558836
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914732
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2630390
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891349
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 35832298

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate (CID 2515349) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate is COc1ccccc1C(=O)NC(=O)COC(=O)c1c(F)cccc1F.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate?
The InChIKey is RRGVGQQEMDRONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO5/c1-24-13-8-3-2-5-10(13)16(22)20-14(21)9-25-17(23)15-11(18)6-4-7-12(15)19/h2-8H,9H2,1H3,(H,20,21,22).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate has a molecular weight of 349.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate is sourced from PubChem (CID 2515349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).