2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide

C15H13F2NO2 — CID 61017284

IUPAC2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO2/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)
InChIKeyURZILQCKPQJTLF-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.64
Rot. Bonds4

About 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide

2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide (PubChem CID 61017284) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
PubChem CID61017284
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO2/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)
InChIKeyURZILQCKPQJTLF-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 115687343
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534
3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71890892
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide
CID 6733826
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[2-(4-fluorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600070
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide (CID 61017284) is 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide is O=C(NCCc1ccc(O)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The InChIKey is URZILQCKPQJTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/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 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 61017284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).