4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide

C22H13F3N2O3 — CID 1188867

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H13F3N2O3/c23-22(24,25)17-7-3-4-8-18(17)26-19(28)13-9-11-14(12-10-13)27-20(29)15-5-1-2-6-16(15)21(27)30/h1-12H,(H,26,28)
InChIKeyHATMVWXVJTUSTJ-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.76
Rot. Bonds3

About 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide

4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 1188867) has the molecular formula C22H13F3N2O3 and a molecular weight of 410.35 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID1188867
Molecular FormulaC22H13F3N2O3
Molecular Weight410.35 g/mol
Exact Mass410.09
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H13F3N2O3/c23-22(24,25)17-7-3-4-8-18(17)26-19(28)13-9-11-14(12-10-13)27-20(29)15-5-1-2-6-16(15)21(27)30/h1-12H,(H,26,28)
InChIKeyHATMVWXVJTUSTJ-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide (CID 1188867) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HATMVWXVJTUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N2O3/c23-22(24,25)17-7-3-4-8-18(17)26-19(28)13-9-11-14(12-10-13)27-20(29)15-5-1-2-6-16(15)21(27)30/h1-12H,(H,26,28).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 410.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1188867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).