[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate

C15H11F2NO4 — CID 2628769

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESO=C(COC(=O)c1cccc(O)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F2NO4/c16-11-5-2-6-12(17)14(11)18-13(20)8-22-15(21)9-3-1-4-10(19)7-9/h1-7,19H,8H2,(H,18,20)
InChIKeySEYMQIXWRXFCPK-UHFFFAOYSA-N
MW307.25 g/mol
LogP2.47
Rot. Bonds4

About [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate

[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 2628769) has the molecular formula C15H11F2NO4 and a molecular weight of 307.25 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID2628769
Molecular FormulaC15H11F2NO4
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESO=C(COC(=O)c1cccc(O)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F2NO4/c16-11-5-2-6-12(17)14(11)18-13(20)8-22-15(21)9-3-1-4-10(19)7-9/h1-7,19H,8H2,(H,18,20)
InChIKeySEYMQIXWRXFCPK-UHFFFAOYSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504414
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628078
[2-(2,6-difluoroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592169
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607644
[2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 2396240
[2-(3-bromoanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628239
[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628238
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555034
[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18149612
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628902

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate (CID 2628769) is [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate is O=C(COC(=O)c1cccc(O)c1)Nc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is SEYMQIXWRXFCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO4/c16-11-5-2-6-12(17)14(11)18-13(20)8-22-15(21)9-3-1-4-10(19)7-9/h1-7,19H,8H2,(H,18,20).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 307.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 2628769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).