3-bromo-N-tert-butyl-4-fluorobenzamide

C11H13BrFNO — CID 46738861

IUPAC3-bromo-N-tert-butyl-4-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15)
InChIKeyDCQTUUIYIQBVMU-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.12
Rot. Bonds1

About 3-bromo-N-tert-butyl-4-fluorobenzamide

3-bromo-N-tert-butyl-4-fluorobenzamide (PubChem CID 46738861) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-bromo-N-tert-butyl-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-tert-butyl-4-fluorobenzamide
PubChem CID46738861
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-bromo-N-tert-butyl-4-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15)
InChIKeyDCQTUUIYIQBVMU-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 3-bromo-N-tert-butyl-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-tert-butyl-4-fluorobenzamide (CID 46738861) is 3-bromo-N-tert-butyl-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-tert-butyl-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-tert-butyl-4-fluorobenzamide is CC(C)(C)NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-tert-butyl-4-fluorobenzamide?
The InChIKey is DCQTUUIYIQBVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15).
What are the key properties of 3-bromo-N-tert-butyl-4-fluorobenzamide?
3-bromo-N-tert-butyl-4-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 3-bromo-N-tert-butyl-4-fluorobenzamide is sourced from PubChem (CID 46738861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).