5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide

C15H13BrFNO2 — CID 47291966

IUPAC5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c16-11-3-6-14(17)13(9-11)15(20)18-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8H2,(H,18,20)
InChIKeyRFGSDEMHKALVQB-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.27
Rot. Bonds4

About 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide

5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide (PubChem CID 47291966) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
PubChem CID47291966
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c16-11-3-6-14(17)13(9-11)15(20)18-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8H2,(H,18,20)
InChIKeyRFGSDEMHKALVQB-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide (CID 47291966) is 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide is O=C(NCCc1ccc(O)cc1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The InChIKey is RFGSDEMHKALVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-11-3-6-14(17)13(9-11)15(20)18-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8H2,(H,18,20).
What are the key properties of 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide has a molecular weight of 338.18 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 47291966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).