4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide

C13H16BrNO3 — CID 102673953

IUPAC4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
SMILESCCOC1CC(NC(=O)c2ccc(Br)c(O)c2)C1
InChIInChI=1S/C13H16BrNO3/c1-2-18-10-6-9(7-10)15-13(17)8-3-4-11(14)12(16)5-8/h3-5,9-10,16H,2,6-7H2,1H3,(H,15,17)
InChIKeyIKXIRZJCVLNYAU-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.45
Rot. Bonds4

About 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide

4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide (PubChem CID 102673953) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
PubChem CID102673953
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
SMILESCCOC1CC(NC(=O)c2ccc(Br)c(O)c2)C1
InChIInChI=1S/C13H16BrNO3/c1-2-18-10-6-9(7-10)15-13(17)8-3-4-11(14)12(16)5-8/h3-5,9-10,16H,2,6-7H2,1H3,(H,15,17)
InChIKeyIKXIRZJCVLNYAU-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
CID 102610643
N-(3-ethoxycyclobutyl)-4-iodobenzamide
CID 102610594
4-cyano-N-(3-ethoxycyclobutyl)benzamide
CID 102610611
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide
CID 114103962
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 106544991
ethyl 3-[(4-bromo-3-hydroxybenzoyl)amino]propanoate
CID 103830570
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 102610577
3-hydroxy-4-methoxy-N-(3-methoxycyclopentyl)benzamide
CID 103099443

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide (CID 102673953) is 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide is CCOC1CC(NC(=O)c2ccc(Br)c(O)c2)C1.
What is the InChIKey of 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide?
The InChIKey is IKXIRZJCVLNYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-2-18-10-6-9(7-10)15-13(17)8-3-4-11(14)12(16)5-8/h3-5,9-10,16H,2,6-7H2,1H3,(H,15,17).
What are the key properties of 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide?
4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide has a molecular weight of 314.18 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide is sourced from PubChem (CID 102673953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).