5-bromo-2-fluoro-N-pentan-2-ylbenzamide

C12H15BrFNO — CID 24700042

IUPAC5-bromo-2-fluoro-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-3-4-8(2)15-12(16)10-7-9(13)5-6-11(10)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyBRHYNDFWZYUIHH-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-2-fluoro-N-pentan-2-ylbenzamide

5-bromo-2-fluoro-N-pentan-2-ylbenzamide (PubChem CID 24700042) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-pentan-2-ylbenzamide
PubChem CID24700042
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name5-bromo-2-fluoro-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-3-4-8(2)15-12(16)10-7-9(13)5-6-11(10)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyBRHYNDFWZYUIHH-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.51
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-2-fluoro-N-pentan-2-ylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N-pentan-2-ylbenzamide (CID 24700042) is 5-bromo-2-fluoro-N-pentan-2-ylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-pentan-2-ylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-pentan-2-ylbenzamide?
The InChIKey is BRHYNDFWZYUIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-3-4-8(2)15-12(16)10-7-9(13)5-6-11(10)14/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-2-fluoro-N-pentan-2-ylbenzamide?
5-bromo-2-fluoro-N-pentan-2-ylbenzamide has a molecular weight of 288.16 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-pentan-2-ylbenzamide is sourced from PubChem (CID 24700042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).