N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide

C16H21BrN2O — CID 61230371

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C16H21BrN2O/c1-2-19(13-9-11-7-8-12(10-13)18-11)16(20)14-5-3-4-6-15(14)17/h3-6,11-13,18H,2,7-10H2,1H3
InChIKeyMKSYAXPRVHZJFK-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.19
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide (PubChem CID 61230371) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide
PubChem CID61230371
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C16H21BrN2O/c1-2-19(13-9-11-7-8-12(10-13)18-11)16(20)14-5-3-4-6-15(14)17/h3-6,11-13,18H,2,7-10H2,1H3
InChIKeyMKSYAXPRVHZJFK-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide
CID 61231892
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-2-carboxamide
CID 61230562
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 80537937
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732052
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
CID 61230749
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide
CID 61230753
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 61231129
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
2-bromo-N,N-dicyclopentylbenzamide
CID 67873213
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
CID 78771506

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide (CID 61230371) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide is CCN(C(=O)c1ccccc1Br)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide?
The InChIKey is MKSYAXPRVHZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-2-19(13-9-11-7-8-12(10-13)18-11)16(20)14-5-3-4-6-15(14)17/h3-6,11-13,18H,2,7-10H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide has a molecular weight of 337.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide is sourced from PubChem (CID 61230371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).