N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide

C17H12F7NO — CID 129410835

IUPACN-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@H](F)c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F7NO/c18-14(10-5-1-3-7-12(10)16(19,20)21)9-25-15(26)11-6-2-4-8-13(11)17(22,23)24/h1-8,14H,9H2,(H,25,26)/t14-/m0/s1
InChIKeyZVVXWSPDLYKAJK-AWEZNQCLSA-N
MW379.28 g/mol
LogP5.16
Rot. Bonds4

About N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide

N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 129410835) has the molecular formula C17H12F7NO and a molecular weight of 379.28 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID129410835
Molecular FormulaC17H12F7NO
Molecular Weight379.28 g/mol
Exact Mass379.08
IUPAC NameN-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@H](F)c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F7NO/c18-14(10-5-1-3-7-12(10)16(19,20)21)9-25-15(26)11-6-2-4-8-13(11)17(22,23)24/h1-8,14H,9H2,(H,25,26)/t14-/m0/s1
InChIKeyZVVXWSPDLYKAJK-AWEZNQCLSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.28
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 125464734
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178
N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 131701791
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium
CID 2449545
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide (CID 129410835) is N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide is O=C(NC[C@H](F)c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZVVXWSPDLYKAJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H12F7NO/c18-14(10-5-1-3-7-12(10)16(19,20)21)9-25-15(26)11-6-2-4-8-13(11)17(22,23)24/h1-8,14H,9H2,(H,25,26)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 379.28 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 129410835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).