[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

C15H11BrFNO4 — CID 2630367

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1O)Nc1ccccc1F
InChIInChI=1S/C15H11BrFNO4/c16-9-5-6-13(19)10(7-9)15(21)22-8-14(20)18-12-4-2-1-3-11(12)17/h1-7,19H,8H2,(H,18,20)
InChIKeyUHAWXIYULGVVGF-UHFFFAOYSA-N
MW368.16 g/mol
LogP3.09
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate (PubChem CID 2630367) has the molecular formula C15H11BrFNO4 and a molecular weight of 368.16 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
PubChem CID2630367
Molecular FormulaC15H11BrFNO4
Molecular Weight368.16 g/mol
Exact Mass366.99
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1O)Nc1ccccc1F
InChIInChI=1S/C15H11BrFNO4/c16-9-5-6-13(19)10(7-9)15(21)22-8-14(20)18-12-4-2-1-3-11(12)17/h1-7,19H,8H2,(H,18,20)
InChIKeyUHAWXIYULGVVGF-UHFFFAOYSA-N
XLogP3.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.16
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7762622
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-bromo-2-hydroxybenzoate
CID 16525414
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525418
[2-(2,3-dimethylanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365657
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611829
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485046
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149171
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate
CID 7786327
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387880
[2-(2-fluoroanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566490

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate (CID 2630367) is [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate is O=C(COC(=O)c1cc(Br)ccc1O)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The InChIKey is UHAWXIYULGVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO4/c16-9-5-6-13(19)10(7-9)15(21)22-8-14(20)18-12-4-2-1-3-11(12)17/h1-7,19H,8H2,(H,18,20).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate has a molecular weight of 368.16 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate is sourced from PubChem (CID 2630367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).