[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate

C18H16FNO5 — CID 7842393

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H16FNO5/c1-11(21)20-14-5-3-4-12(8-14)18(23)25-10-16(22)15-9-13(19)6-7-17(15)24-2/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyLTWFTXBSOGXDSL-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.83
Rot. Bonds6

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 7842393) has the molecular formula C18H16FNO5 and a molecular weight of 345.33 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID7842393
Molecular FormulaC18H16FNO5
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H16FNO5/c1-11(21)20-14-5-3-4-12(8-14)18(23)25-10-16(22)15-9-13(19)6-7-17(15)24-2/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyLTWFTXBSOGXDSL-UHFFFAOYSA-N
XLogP2.83
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
CID 110793473
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840385
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18145228
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 7433764
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530
ethyl 3-acetamidobenzoate
CID 700589
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate (CID 7842393) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate is COc1ccc(F)cc1C(=O)COC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is LTWFTXBSOGXDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5/c1-11(21)20-14-5-3-4-12(8-14)18(23)25-10-16(22)15-9-13(19)6-7-17(15)24-2/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 345.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 7842393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).