2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide

C16H11F6NO — CID 125464734

IUPAC2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC[C@@H](F)c1ccccc1C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C16H11F6NO/c17-11-6-3-7-12(18)14(11)15(24)23-8-13(19)9-4-1-2-5-10(9)16(20,21)22/h1-7,13H,8H2,(H,23,24)/t13-/m1/s1
InChIKeyJNJYPWQTKBISJH-CYBMUJFWSA-N
MW347.26 g/mol
LogP4.42
Rot. Bonds4

About 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide

2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 125464734) has the molecular formula C16H11F6NO and a molecular weight of 347.26 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID125464734
Molecular FormulaC16H11F6NO
Molecular Weight347.26 g/mol
Exact Mass347.07
IUPAC Name2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC[C@@H](F)c1ccccc1C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C16H11F6NO/c17-11-6-3-7-12(18)14(11)15(24)23-8-13(19)9-4-1-2-5-10(9)16(20,21)22/h1-7,13H,8H2,(H,23,24)/t13-/m1/s1
InChIKeyJNJYPWQTKBISJH-CYBMUJFWSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 94800676
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528795
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178
N-[4-amino-3-(2-fluorophenyl)-4-imino-2-[2-(trifluoromethyl)phenyl]butyl]-2-hydroxybenzamide
CID 90028863
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide (CID 125464734) is 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NC[C@@H](F)c1ccccc1C(F)(F)F)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is JNJYPWQTKBISJH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H11F6NO/c17-11-6-3-7-12(18)14(11)15(24)23-8-13(19)9-4-1-2-5-10(9)16(20,21)22/h1-7,13H,8H2,(H,23,24)/t13-/m1/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 347.26 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 125464734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).