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

C15H13F2NO3 — CID 6733826

IUPAC2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCC(O)c1ccc(O)cc1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO3/c16-11-2-1-3-12(17)14(11)15(21)18-8-13(20)9-4-6-10(19)7-5-9/h1-7,13,19-20H,8H2,(H,18,21)
InChIKeyBJYQYHYTNUZCRI-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.13
Rot. Bonds4

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

2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide (PubChem CID 6733826) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide
PubChem CID6733826
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCC(O)c1ccc(O)cc1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO3/c16-11-2-1-3-12(17)14(11)15(21)18-8-13(20)9-4-6-10(19)7-5-9/h1-7,13,19-20H,8H2,(H,18,21)
InChIKeyBJYQYHYTNUZCRI-UHFFFAOYSA-N
XLogP2.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986600
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide (CID 6733826) is 2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide is O=C(NCC(O)c1ccc(O)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide?
The InChIKey is BJYQYHYTNUZCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-11-2-1-3-12(17)14(11)15(21)18-8-13(20)9-4-6-10(19)7-5-9/h1-7,13,19-20H,8H2,(H,18,21).
What are the key properties of 2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide?
2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide has a molecular weight of 293.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 6733826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).