2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide

C21H14F5NO — CID 90393724

IUPAC2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccccc2C(F)(F)F)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H14F5NO/c22-17-6-3-7-18(23)19(17)20(28)27-15-10-8-13(9-11-15)12-14-4-1-2-5-16(14)21(24,25)26/h1-11H,12H2,(H,27,28)
InChIKeyGHXZLAUEQHXMSM-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.83
Rot. Bonds4

About 2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide

2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide (PubChem CID 90393724) has the molecular formula C21H14F5NO and a molecular weight of 391.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide
PubChem CID90393724
Molecular FormulaC21H14F5NO
Molecular Weight391.34 g/mol
Exact Mass391.10
IUPAC Name2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccccc2C(F)(F)F)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H14F5NO/c22-17-6-3-7-18(23)19(17)20(28)27-15-10-8-13(9-11-15)12-14-4-1-2-5-16(14)21(24,25)26/h1-11H,12H2,(H,27,28)
InChIKeyGHXZLAUEQHXMSM-UHFFFAOYSA-N
XLogP5.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-[3-fluoro-4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide;2,6-difluoro-N-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide;2,6-difluoro-N-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]phenyl]-4-methylbenzamide;2-fluoro-N-[3-fluoro-4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide;2-fluoro-N-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]phenyl]-6-methylbenzamide
CID 160581285
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
N-(4-ethylphenyl)-2-fluoro-6-hydroxybenzamide
CID 104916647
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
N-[4-[1-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrrol-2-yl]phenyl]-2,6-difluorobenzamide
CID 142993996
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline
CID 129135425
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide
CID 90396026
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide (CID 90393724) is 2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide is O=C(Nc1ccc(Cc2ccccc2C(F)(F)F)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide?
The InChIKey is GHXZLAUEQHXMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5NO/c22-17-6-3-7-18(23)19(17)20(28)27-15-10-8-13(9-11-15)12-14-4-1-2-5-16(14)21(24,25)26/h1-11H,12H2,(H,27,28).
What are the key properties of 2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide?
2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide has a molecular weight of 391.34 g/mol, XLogP of 5.83, 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-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide is sourced from PubChem (CID 90393724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).