N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide

C10H11BrN2O2 — CID 66187922

IUPACN-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide
SMILESO=C(NC1CNC1)c1ccc(Br)cc1O
InChIInChI=1S/C10H11BrN2O2/c11-6-1-2-8(9(14)3-6)10(15)13-7-4-12-5-7/h1-3,7,12,14H,4-5H2,(H,13,15)
InChIKeyWRRKVWMYFHMBNZ-UHFFFAOYSA-N
MW271.11 g/mol
LogP0.86
Rot. Bonds2

About N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide

N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide (PubChem CID 66187922) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide
PubChem CID66187922
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC NameN-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide
SMILESO=C(NC1CNC1)c1ccc(Br)cc1O
InChIInChI=1S/C10H11BrN2O2/c11-6-1-2-8(9(14)3-6)10(15)13-7-4-12-5-7/h1-3,7,12,14H,4-5H2,(H,13,15)
InChIKeyWRRKVWMYFHMBNZ-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55038314
4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65471077
4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
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4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
CID 63625545
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 78980766
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
CID 63524339
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CID 65312004

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide?
The IUPAC name of N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide (CID 66187922) is N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide is O=C(NC1CNC1)c1ccc(Br)cc1O.
What is the InChIKey of N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide?
The InChIKey is WRRKVWMYFHMBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-6-1-2-8(9(14)3-6)10(15)13-7-4-12-5-7/h1-3,7,12,14H,4-5H2,(H,13,15).
What are the key properties of N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide?
N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide has a molecular weight of 271.11 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide is sourced from PubChem (CID 66187922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).