N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide

C22H15F3N2O2 — CID 122639255

IUPACN-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)c2c1C(=O)NC2)c1ccccc1
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)15-8-6-13(7-9-15)16-10-11-18(19-17(16)12-26-21(19)29)27-20(28)14-4-2-1-3-5-14/h1-11H,12H2,(H,26,29)(H,27,28)
InChIKeyBOYOUDHQLXZKCU-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.87
Rot. Bonds3

About N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide

N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide (PubChem CID 122639255) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
PubChem CID122639255
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC NameN-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)c2c1C(=O)NC2)c1ccccc1
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)15-8-6-13(7-9-15)16-10-11-18(19-17(16)12-26-21(19)29)27-20(28)14-4-2-1-3-5-14/h1-11H,12H2,(H,26,29)(H,27,28)
InChIKeyBOYOUDHQLXZKCU-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
CID 140749368
N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639188
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639250
N-[7-(2-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639387
N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639190
4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
CID 122639404

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide?
The IUPAC name of N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide (CID 122639255) is N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide.
What is the SMILES notation for N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide?
The canonical SMILES for N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide is O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)c2c1C(=O)NC2)c1ccccc1.
What is the InChIKey of N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide?
The InChIKey is BOYOUDHQLXZKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/c23-22(24,25)15-8-6-13(7-9-15)16-10-11-18(19-17(16)12-26-21(19)29)27-20(28)14-4-2-1-3-5-14/h1-11H,12H2,(H,26,29)(H,27,28).
What are the key properties of N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide?
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide has a molecular weight of 396.37 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide is sourced from PubChem (CID 122639255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).