[2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate

C15H10Br2FNO4 — CID 75433817

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Br)c(O)c(Br)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H10Br2FNO4/c16-11-4-8(5-12(17)14(11)21)15(22)23-7-13(20)19-10-3-1-2-9(18)6-10/h1-6,21H,7H2,(H,19,20)
InChIKeyHHNOWBOGDLNFDE-UHFFFAOYSA-N
MW447.05 g/mol
LogP3.85
Rot. Bonds4

About [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate

[2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate (PubChem CID 75433817) has the molecular formula C15H10Br2FNO4 and a molecular weight of 447.05 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate
PubChem CID75433817
Molecular FormulaC15H10Br2FNO4
Molecular Weight447.05 g/mol
Exact Mass444.90
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Br)c(O)c(Br)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H10Br2FNO4/c16-11-4-8(5-12(17)14(11)21)15(22)23-7-13(20)19-10-3-1-2-9(18)6-10/h1-6,21H,7H2,(H,19,20)
InChIKeyHHNOWBOGDLNFDE-UHFFFAOYSA-N
XLogP3.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.05
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678537
[2-(3-fluoroanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2524188
[2-(3-fluoroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515125
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859628
[2-(3-fluoroanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386670
methyl 3-bromo-4-[2-(3-fluoroanilino)-2-oxoethoxy]benzoate
CID 36533330
[2-(3-methylanilino)-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 8986974
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
[2-(3-bromoanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516602
[2-(3-fluoroanilino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204444
[2-(3-bromoanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628239

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate (CID 75433817) is [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate is O=C(COC(=O)c1cc(Br)c(O)c(Br)c1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate?
The InChIKey is HHNOWBOGDLNFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2FNO4/c16-11-4-8(5-12(17)14(11)21)15(22)23-7-13(20)19-10-3-1-2-9(18)6-10/h1-6,21H,7H2,(H,19,20).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate?
[2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate has a molecular weight of 447.05 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate is sourced from PubChem (CID 75433817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).