2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide

C15H13BrFNO2 — CID 115687343

IUPAC2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1c(F)cccc1Br
InChIInChI=1S/C15H13BrFNO2/c16-12-2-1-3-13(17)14(12)15(20)18-9-8-10-4-6-11(19)7-5-10/h1-7,19H,8-9H2,(H,18,20)
InChIKeyQBMKYFHDSUXKMV-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.27
Rot. Bonds4

About 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide

2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide (PubChem CID 115687343) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
PubChem CID115687343
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1c(F)cccc1Br
InChIInChI=1S/C15H13BrFNO2/c16-12-2-1-3-13(17)14(12)15(20)18-9-8-10-4-6-11(19)7-5-10/h1-7,19H,8-9H2,(H,18,20)
InChIKeyQBMKYFHDSUXKMV-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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Related Compounds

2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231275
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 115678292
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
CID 119509128
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
2-bromo-6-fluoro-N-prop-2-enylbenzamide
CID 115678484
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 115679118
N-(2-amino-2-sulfanylideneethyl)-2-bromo-6-fluorobenzamide
CID 114559233
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide (CID 115687343) is 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide is O=C(NCCc1ccc(O)cc1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The InChIKey is QBMKYFHDSUXKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-12-2-1-3-13(17)14(12)15(20)18-9-8-10-4-6-11(19)7-5-10/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
2-bromo-6-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 2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 115687343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).