4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide

C13H17BrFNO2 — CID 71271593

IUPAC4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(Br)c(F)c1CCO
InChIInChI=1S/C13H17BrFNO2/c1-13(2,3)16-12(18)9-4-5-10(14)11(15)8(9)6-7-17/h4-5,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyWDCARENNLICCJG-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.65
Rot. Bonds3

About 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide

4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide (PubChem CID 71271593) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide
PubChem CID71271593
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(Br)c(F)c1CCO
InChIInChI=1S/C13H17BrFNO2/c1-13(2,3)16-12(18)9-4-5-10(14)11(15)8(9)6-7-17/h4-5,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyWDCARENNLICCJG-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide (CID 71271593) is 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide is CC(C)(C)NC(=O)c1ccc(Br)c(F)c1CCO.
What is the InChIKey of 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide?
The InChIKey is WDCARENNLICCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-13(2,3)16-12(18)9-4-5-10(14)11(15)8(9)6-7-17/h4-5,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide?
4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide has a molecular weight of 318.19 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 71271593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).