3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide

C26H16F4N2O2 — CID 166821555

IUPAC3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2c1C(c1ccc3ccccc3c1)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H16F4N2O2/c27-19-12-17(11-18(13-19)26(28,29)30)24(33)31-21-7-3-6-20-22(21)23(32-25(20)34)16-9-8-14-4-1-2-5-15(14)10-16/h1-13,23H,(H,31,33)(H,32,34)
InChIKeyDZIXCVHGFPZVBF-UHFFFAOYSA-N
MW464.42 g/mol
LogP6.08
Rot. Bonds3

About 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide

3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide (PubChem CID 166821555) has the molecular formula C26H16F4N2O2 and a molecular weight of 464.42 g/mol. Its IUPAC name is 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide
PubChem CID166821555
Molecular FormulaC26H16F4N2O2
Molecular Weight464.42 g/mol
Exact Mass464.11
IUPAC Name3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2c1C(c1ccc3ccccc3c1)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H16F4N2O2/c27-19-12-17(11-18(13-19)26(28,29)30)24(33)31-21-7-3-6-20-22(21)23(32-25(20)34)16-9-8-14-4-1-2-5-15(14)10-16/h1-13,23H,(H,31,33)(H,32,34)
InChIKeyDZIXCVHGFPZVBF-UHFFFAOYSA-N
XLogP6.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.42
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-amino-4-pyridinyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176618929
3-fluoro-N-[(3S)-3-[(2S)-2-hydroxycyclohexyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide
CID 176620151
N-[3-(azetidin-3-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822822
N-[(3S)-3-(cyclopentylmethyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176620032
N-[3-(cyclohexylmethyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619725
N-[(3S)-6-bromo-3-(2,3-difluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166821655
3-fluoro-N-[6-(hydroxymethyl)-3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide
CID 166822459
3-fluoro-N-[6-(fluoromethyl)-3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide
CID 166821630
N-[6-bromo-3-(2-chloro-3-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822701
N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-6-quinolin-6-yl-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619138
3-bromo-5-fluoro-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]benzamide
CID 166821596
N-[6-bromo-3-[5-fluoro-2-(trifluoromethyl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619441

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide (CID 166821555) is 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1cccc2c1C(c1ccc3ccccc3c1)NC2=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is DZIXCVHGFPZVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4N2O2/c27-19-12-17(11-18(13-19)26(28,29)30)24(33)31-21-7-3-6-20-22(21)23(32-25(20)34)16-9-8-14-4-1-2-5-15(14)10-16/h1-13,23H,(H,31,33)(H,32,34).
What are the key properties of 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide?
3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 464.42 g/mol, XLogP of 6.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-naphthalen-2-yl-1-oxo-2,3-dihydroisoindol-4-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166821555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).