4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide

C10H11BrFNO2 — CID 43418367

IUPAC4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c1-6(14)5-13-10(15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeySTFLVYJZYOBMAB-UHFFFAOYSA-N
MW276.11 g/mol
LogP1.70
Rot. Bonds3

About 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide

4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide (PubChem CID 43418367) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide
PubChem CID43418367
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c1-6(14)5-13-10(15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeySTFLVYJZYOBMAB-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide (CID 43418367) is 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide is CC(O)CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide?
The InChIKey is STFLVYJZYOBMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6(14)5-13-10(15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15).
What are the key properties of 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide?
4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide has a molecular weight of 276.11 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 43418367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).