2-bromo-N-tert-butyl-5-fluorobenzamide

C11H13BrFNO — CID 24700565

IUPAC2-bromo-N-tert-butyl-5-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)8-6-7(13)4-5-9(8)12/h4-6H,1-3H3,(H,14,15)
InChIKeySSXSKZCGJIFORU-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.12
Rot. Bonds1

About 2-bromo-N-tert-butyl-5-fluorobenzamide

2-bromo-N-tert-butyl-5-fluorobenzamide (PubChem CID 24700565) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-bromo-N-tert-butyl-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-tert-butyl-5-fluorobenzamide
PubChem CID24700565
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-bromo-N-tert-butyl-5-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)8-6-7(13)4-5-9(8)12/h4-6H,1-3H3,(H,14,15)
InChIKeySSXSKZCGJIFORU-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-tert-butyl-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-tert-butyl-5-fluorobenzamide (CID 24700565) is 2-bromo-N-tert-butyl-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-tert-butyl-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-tert-butyl-5-fluorobenzamide is CC(C)(C)NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-tert-butyl-5-fluorobenzamide?
The InChIKey is SSXSKZCGJIFORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)8-6-7(13)4-5-9(8)12/h4-6H,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-tert-butyl-5-fluorobenzamide?
2-bromo-N-tert-butyl-5-fluorobenzamide has a molecular weight of 274.13 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-tert-butyl-5-fluorobenzamide is sourced from PubChem (CID 24700565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).