[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate

C17H16FNO4 — CID 2510209

IUPAC[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H16FNO4/c1-11-3-6-13(18)9-15(11)19-16(20)10-23-17(21)12-4-7-14(22-2)8-5-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyXQJYKRLIJCONBY-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.94
Rot. Bonds5

About [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate (PubChem CID 2510209) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate
PubChem CID2510209
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H16FNO4/c1-11-3-6-13(18)9-15(11)19-16(20)10-23-17(21)12-4-7-14(22-2)8-5-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyXQJYKRLIJCONBY-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507285
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18195720
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-methoxybenzoate
CID 7861707
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571518
methyl 3-[[2-(5-fluoro-2-methylbenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 17392365
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 18085341
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553575
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
N-(5-fluoro-2-methylphenyl)-4-(4-methoxyphenyl)butanamide
CID 798892
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 7861654

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate (CID 2510209) is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2C)cc1.
What is the InChIKey of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is XQJYKRLIJCONBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-11-3-6-13(18)9-15(11)19-16(20)10-23-17(21)12-4-7-14(22-2)8-5-12/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate?
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 317.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate is sourced from PubChem (CID 2510209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).