[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C18H16FNO5 — CID 9460457

IUPAC[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(C)c2O)c(F)c1
InChIInChI=1S/C18H16FNO5/c1-10-4-3-5-14(17(10)23)18(24)25-9-16(22)13-7-6-12(8-15(13)19)20-11(2)21/h3-8,23H,9H2,1-2H3,(H,20,21)
InChIKeyQGKDYQAGMDWWQA-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.84
Rot. Bonds5

About [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 9460457) has the molecular formula C18H16FNO5 and a molecular weight of 345.33 g/mol. Its IUPAC name is [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID9460457
Molecular FormulaC18H16FNO5
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Name[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(C)c2O)c(F)c1
InChIInChI=1S/C18H16FNO5/c1-10-4-3-5-14(17(10)23)18(24)25-9-16(22)13-7-6-12(8-15(13)19)20-11(2)21/h3-8,23H,9H2,1-2H3,(H,20,21)
InChIKeyQGKDYQAGMDWWQA-UHFFFAOYSA-N
XLogP2.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8653025
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 8666926
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 16530409
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840385
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578372
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578358
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 17421913
[2-(3-bromophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416477
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075540
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 46819418

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 9460457) is [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is CC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(C)c2O)c(F)c1.
What is the InChIKey of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is QGKDYQAGMDWWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5/c1-10-4-3-5-14(17(10)23)18(24)25-9-16(22)13-7-6-12(8-15(13)19)20-11(2)21/h3-8,23H,9H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 345.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 9460457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).