N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide

C13H17BrN2O2 — CID 66195102

IUPACN-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
SMILESCCOC1CC(N)C1NC(=O)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-2-18-11-7-10(15)12(11)16-13(17)8-5-3-4-6-9(8)14/h3-6,10-12H,2,7,15H2,1H3,(H,16,17)
InChIKeyBMBZXSKAUCISTO-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.68
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide

N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide (PubChem CID 66195102) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
PubChem CID66195102
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
SMILESCCOC1CC(N)C1NC(=O)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-2-18-11-7-10(15)12(11)16-13(17)8-5-3-4-6-9(8)14/h3-6,10-12H,2,7,15H2,1H3,(H,16,17)
InChIKeyBMBZXSKAUCISTO-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)naphthalene-1-carboxamide
CID 66194914
N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide
CID 107990557
N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide
CID 79217631
N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide
CID 66197803
N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide
CID 66196255
N-(2-amino-4-ethoxycyclobutyl)-2,4-dihydroxybenzamide
CID 66195669
N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
CID 66195304
N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide
CID 106688549
N-(2-amino-4-ethoxycyclobutyl)-2,5-difluorobenzamide
CID 66197031
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677163
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-5-methylbenzamide
CID 66196271
N-(2-amino-4-ethoxycyclobutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772875

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide (CID 66195102) is N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide is CCOC1CC(N)C1NC(=O)c1ccccc1Br.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide?
The InChIKey is BMBZXSKAUCISTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-2-18-11-7-10(15)12(11)16-13(17)8-5-3-4-6-9(8)14/h3-6,10-12H,2,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide?
N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide has a molecular weight of 313.19 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide is sourced from PubChem (CID 66195102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).