2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

C15H13F2NO2 — CID 103944481

IUPAC2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO2/c16-11-7-4-8-12(17)14(11)15(20)18-13(9-19)10-5-2-1-3-6-10/h1-8,13,19H,9H2,(H,18,20)/t13-/m0/s1
InChIKeyFTWKXKWMRHACCD-ZDUSSCGKSA-N
MW277.27 g/mol
LogP2.43
Rot. Bonds4

About 2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 103944481) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID103944481
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO2/c16-11-7-4-8-12(17)14(11)15(20)18-13(9-19)10-5-2-1-3-6-10/h1-8,13,19H,9H2,(H,18,20)/t13-/m0/s1
InChIKeyFTWKXKWMRHACCD-ZDUSSCGKSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861743
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide
CID 111798649
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (CID 103944481) is 2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is O=C(N[C@@H](CO)c1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is FTWKXKWMRHACCD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-11-7-4-8-12(17)14(11)15(20)18-13(9-19)10-5-2-1-3-6-10/h1-8,13,19H,9H2,(H,18,20)/t13-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.43, 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-[(1R)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 103944481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).