N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide

C23H17F3N2O2 — CID 58708248

IUPACN-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)18-8-6-16(7-9-18)21(29)27-19-10-11-20-17(12-19)14-28(22(20)30)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)
InChIKeyXXBYLHHZMGJKDO-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.11
Rot. Bonds4

About N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide

N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 58708248) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID58708248
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC NameN-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)18-8-6-16(7-9-18)21(29)27-19-10-11-20-17(12-19)14-28(22(20)30)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)
InChIKeyXXBYLHHZMGJKDO-UHFFFAOYSA-N
XLogP5.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide (CID 58708248) is N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is XXBYLHHZMGJKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-23(25,26)18-8-6-16(7-9-18)21(29)27-19-10-11-20-17(12-19)14-28(22(20)30)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29).
What are the key properties of N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide?
N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 410.40 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 58708248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).