5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

C13H17BrFNO2 — CID 79381321

IUPAC5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO2/c1-4-16(8-13(2,3)18)12(17)10-7-9(14)5-6-11(10)15/h5-7,18H,4,8H2,1-3H3
InChIKeyUWNZRHFZGXXAPN-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.82
Rot. Bonds4

About 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 79381321) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID79381321
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO2/c1-4-16(8-13(2,3)18)12(17)10-7-9(14)5-6-11(10)15/h5-7,18H,4,8H2,1-3H3
InChIKeyUWNZRHFZGXXAPN-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzamide
CID 60955236
N-ethyl-2,3,4,5-tetrafluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380809
5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79376979
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide
CID 106854125
[2-(diethylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 55338812
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 79386356
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide
CID 111596618

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (CID 79381321) is 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(C)O)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is UWNZRHFZGXXAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-4-16(8-13(2,3)18)12(17)10-7-9(14)5-6-11(10)15/h5-7,18H,4,8H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 318.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 79381321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).