N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide

C13H17BrN2O3 — CID 66197803

IUPACN-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide
SMILESCCOC1CC(N)C1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H17BrN2O3/c1-2-19-11-6-9(15)12(11)16-13(18)8-4-3-7(14)5-10(8)17/h3-5,9,11-12,17H,2,6,15H2,1H3,(H,16,18)
InChIKeyZHFDHAKAHDQNOQ-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.39
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide

N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide (PubChem CID 66197803) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide
PubChem CID66197803
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide
SMILESCCOC1CC(N)C1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H17BrN2O3/c1-2-19-11-6-9(15)12(11)16-13(18)8-4-3-7(14)5-10(8)17/h3-5,9,11-12,17H,2,6,15H2,1H3,(H,16,18)
InChIKeyZHFDHAKAHDQNOQ-UHFFFAOYSA-N
XLogP1.39
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-2,4-dihydroxybenzamide
CID 66195669
N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide
CID 107990557
N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
CID 66195102
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677163
N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
CID 66195304
N-(2-amino-4-ethoxycyclobutyl)-2,5-difluorobenzamide
CID 66197031
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-methoxybenzamide
CID 102884059
N-(2-amino-4-ethoxycyclobutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772875
N-(2-amino-4-ethoxycyclobutyl)-5-fluoro-2-methylbenzamide
CID 66196265
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-5-methylbenzamide
CID 66196271
N-(2-amino-4-ethoxycyclobutyl)naphthalene-1-carboxamide
CID 66194914
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-nitrobenzamide
CID 66197224

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide (CID 66197803) is N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide is CCOC1CC(N)C1NC(=O)c1ccc(Br)cc1O.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide?
The InChIKey is ZHFDHAKAHDQNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-2-19-11-6-9(15)12(11)16-13(18)8-4-3-7(14)5-10(8)17/h3-5,9,11-12,17H,2,6,15H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide?
N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide has a molecular weight of 329.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide is sourced from PubChem (CID 66197803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).