2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide

C16H12F5NO2 — CID 94800676

IUPAC2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(F)cc1F
InChIInChI=1S/C16H12F5NO2/c17-9-5-6-11(13(18)7-9)15(24)22-8-14(23)10-3-1-2-4-12(10)16(19,20)21/h1-7,14,23H,8H2,(H,22,24)/t14-/m0/s1
InChIKeyLHWLIZUUGMAMGF-AWEZNQCLSA-N
MW345.27 g/mol
LogP3.45
Rot. Bonds4

About 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide

2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 94800676) has the molecular formula C16H12F5NO2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID94800676
Molecular FormulaC16H12F5NO2
Molecular Weight345.27 g/mol
Exact Mass345.08
IUPAC Name2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(F)cc1F
InChIInChI=1S/C16H12F5NO2/c17-9-5-6-11(13(18)7-9)15(24)22-8-14(23)10-3-1-2-4-12(10)16(19,20)21/h1-7,14,23H,8H2,(H,22,24)/t14-/m0/s1
InChIKeyLHWLIZUUGMAMGF-AWEZNQCLSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 75364314
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178
(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94190174
(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide (CID 94800676) is 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is LHWLIZUUGMAMGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12F5NO2/c17-9-5-6-11(13(18)7-9)15(24)22-8-14(23)10-3-1-2-4-12(10)16(19,20)21/h1-7,14,23H,8H2,(H,22,24)/t14-/m0/s1.
What are the key properties of 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 345.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 94800676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).