5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide

C13H17BrFNO — CID 64597105

IUPAC5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
SMILESCC(C)C(C)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO/c1-8(2)9(3)7-16-13(17)11-6-10(14)4-5-12(11)15/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyZWUYMQZDAHNTCY-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.61
Rot. Bonds4

About 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide

5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide (PubChem CID 64597105) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
PubChem CID64597105
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
SMILESCC(C)C(C)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO/c1-8(2)9(3)7-16-13(17)11-6-10(14)4-5-12(11)15/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyZWUYMQZDAHNTCY-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide (CID 64597105) is 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide is CC(C)C(C)CNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide?
The InChIKey is ZWUYMQZDAHNTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-8(2)9(3)7-16-13(17)11-6-10(14)4-5-12(11)15/h4-6,8-9H,7H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide?
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide has a molecular weight of 302.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide is sourced from PubChem (CID 64597105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).