4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide

C13H17BrFNO — CID 54949695

IUPAC4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
SMILESCCC(NC(=O)c1ccc(Br)cc1F)C(C)C
InChIInChI=1S/C13H17BrFNO/c1-4-12(8(2)3)16-13(17)10-6-5-9(14)7-11(10)15/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyLUXIFGWPVPKHJC-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.75
Rot. Bonds4

About 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide

4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide (PubChem CID 54949695) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
PubChem CID54949695
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
SMILESCCC(NC(=O)c1ccc(Br)cc1F)C(C)C
InChIInChI=1S/C13H17BrFNO/c1-4-12(8(2)3)16-13(17)10-6-5-9(14)7-11(10)15/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyLUXIFGWPVPKHJC-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
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3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
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4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide (CID 54949695) is 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide is CCC(NC(=O)c1ccc(Br)cc1F)C(C)C.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide?
The InChIKey is LUXIFGWPVPKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-4-12(8(2)3)16-13(17)10-6-5-9(14)7-11(10)15/h5-8,12H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide?
4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide has a molecular weight of 302.19 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide is sourced from PubChem (CID 54949695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).