3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide

C12H13Br2NO3 — CID 27450

IUPAC3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C12H13Br2NO3/c13-7-4-9(11(16)10(14)5-7)12(17)15-6-8-2-1-3-18-8/h4-5,8,16H,1-3,6H2,(H,15,17)
InChIKeyINGVKLACODHWHI-UHFFFAOYSA-N
MW379.05 g/mol
LogP2.83
Rot. Bonds3

About 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide

3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 27450) has the molecular formula C12H13Br2NO3 and a molecular weight of 379.05 g/mol. Its IUPAC name is 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID27450
Molecular FormulaC12H13Br2NO3
Molecular Weight379.05 g/mol
Exact Mass376.93
IUPAC Name3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C12H13Br2NO3/c13-7-4-9(11(16)10(14)5-7)12(17)15-6-8-2-1-3-18-8/h4-5,8,16H,1-3,6H2,(H,15,17)
InChIKeyINGVKLACODHWHI-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide (CID 27450) is 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is INGVKLACODHWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO3/c13-7-4-9(11(16)10(14)5-7)12(17)15-6-8-2-1-3-18-8/h4-5,8,16H,1-3,6H2,(H,15,17).
What are the key properties of 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide?
3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 379.05 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-hydroxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 27450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).