4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide

C15H18BrNO4 — CID 78980766

IUPAC4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1ccc(Br)cc1O
InChIInChI=1S/C15H18BrNO4/c16-10-1-2-12(13(18)9-10)14(19)17-11-3-5-15(6-4-11)20-7-8-21-15/h1-2,9,11,18H,3-8H2,(H,17,19)
InChIKeyXYVMKHDMHZOPKC-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.57
Rot. Bonds2

About 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide

4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide (PubChem CID 78980766) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
PubChem CID78980766
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1ccc(Br)cc1O
InChIInChI=1S/C15H18BrNO4/c16-10-1-2-12(13(18)9-10)14(19)17-11-3-5-15(6-4-11)20-7-8-21-15/h1-2,9,11,18H,3-8H2,(H,17,19)
InChIKeyXYVMKHDMHZOPKC-UHFFFAOYSA-N
XLogP2.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide 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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 47249822
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314
N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide
CID 66187922
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
CID 112729639
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65471077
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
CID 104916913
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide
CID 79878094
4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
CID 63625545

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide (CID 78980766) is 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide is O=C(NC1CCC2(CC1)OCCO2)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide?
The InChIKey is XYVMKHDMHZOPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c16-10-1-2-12(13(18)9-10)14(19)17-11-3-5-15(6-4-11)20-7-8-21-15/h1-2,9,11,18H,3-8H2,(H,17,19).
What are the key properties of 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide?
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide has a molecular weight of 356.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide is sourced from PubChem (CID 78980766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).