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

C13H16BrClN2O2 — CID 107990557

IUPACN-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide
SMILESCCOC1CC(N)C1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN2O2/c1-2-19-11-6-10(16)12(11)17-13(18)8-4-3-7(15)5-9(8)14/h3-5,10-12H,2,6,16H2,1H3,(H,17,18)
InChIKeyRMCMAUHHOCVHPF-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.34
Rot. Bonds4

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

N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide (PubChem CID 107990557) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide
PubChem CID107990557
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide
SMILESCCOC1CC(N)C1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN2O2/c1-2-19-11-6-10(16)12(11)17-13(18)8-4-3-7(15)5-9(8)14/h3-5,10-12H,2,6,16H2,1H3,(H,17,18)
InChIKeyRMCMAUHHOCVHPF-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
CID 66195304
N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
CID 66195102
N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide
CID 66197803
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)-2,4-dihydroxybenzamide
CID 66195669
N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide
CID 106688549
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-methoxybenzamide
CID 102884059
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-nitrobenzamide
CID 66197224
N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide
CID 66196255
N-(2-amino-4-ethoxycyclobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671585

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide (CID 107990557) is N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide is CCOC1CC(N)C1NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide?
The InChIKey is RMCMAUHHOCVHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-2-19-11-6-10(16)12(11)17-13(18)8-4-3-7(15)5-9(8)14/h3-5,10-12H,2,6,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide?
N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide has a molecular weight of 347.64 g/mol, XLogP of 2.34, 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-bromo-4-chlorobenzamide is sourced from PubChem (CID 107990557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).