[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

C15H10BrCl2NO4 — CID 16525418

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H10BrCl2NO4/c16-8-4-5-12(20)9(6-8)15(22)23-7-13(21)19-11-3-1-2-10(17)14(11)18/h1-6,20H,7H2,(H,19,21)
InChIKeyNYZYFDWHKDFNSB-UHFFFAOYSA-N
MW419.06 g/mol
LogP4.26
Rot. Bonds4

About [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate (PubChem CID 16525418) has the molecular formula C15H10BrCl2NO4 and a molecular weight of 419.06 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
PubChem CID16525418
Molecular FormulaC15H10BrCl2NO4
Molecular Weight419.06 g/mol
Exact Mass416.92
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H10BrCl2NO4/c16-8-4-5-12(20)9(6-8)15(22)23-7-13(21)19-11-3-1-2-10(17)14(11)18/h1-6,20H,7H2,(H,19,21)
InChIKeyNYZYFDWHKDFNSB-UHFFFAOYSA-N
XLogP4.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.06
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18085533
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630367
[2-(2,3-dimethylanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365657
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7762622
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-bromo-2-hydroxybenzoate
CID 16525414
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485087
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485046
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2400404
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525429
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812297
[2-(tert-butylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630341

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate (CID 16525418) is [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate is O=C(COC(=O)c1cc(Br)ccc1O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The InChIKey is NYZYFDWHKDFNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2NO4/c16-8-4-5-12(20)9(6-8)15(22)23-7-13(21)19-11-3-1-2-10(17)14(11)18/h1-6,20H,7H2,(H,19,21).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate has a molecular weight of 419.06 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate is sourced from PubChem (CID 16525418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).