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

C22H15N3O2 — CID 122639188

IUPACN-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
SMILESN#Cc1cccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1
InChIInChI=1S/C22H15N3O2/c23-12-14-5-4-8-16(11-14)17-9-10-19(20-18(17)13-24-22(20)27)25-21(26)15-6-2-1-3-7-15/h1-11H,13H2,(H,24,27)(H,25,26)
InChIKeyMMUPGSVTKPYEBC-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.72
Rot. Bonds3

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

N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide (PubChem CID 122639188) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide.

Molecular Properties

Compound NameN-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
PubChem CID122639188
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC NameN-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
SMILESN#Cc1cccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1
InChIInChI=1S/C22H15N3O2/c23-12-14-5-4-8-16(11-14)17-9-10-19(20-18(17)13-24-22(20)27)25-21(26)15-6-2-1-3-7-15/h1-11H,13H2,(H,24,27)(H,25,26)
InChIKeyMMUPGSVTKPYEBC-UHFFFAOYSA-N
XLogP3.72
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
CID 140749368
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-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639190
3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide
CID 68808001
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
N-[7-(2-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639387
N-(1,3-dioxo-7-phenylinden-4-yl)benzamide
CID 161402375

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
The IUPAC name of N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide (CID 122639188) is N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide.
What is the SMILES notation for N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
The canonical SMILES for N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide is N#Cc1cccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1.
What is the InChIKey of N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
The InChIKey is MMUPGSVTKPYEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c23-12-14-5-4-8-16(11-14)17-9-10-19(20-18(17)13-24-22(20)27)25-21(26)15-6-2-1-3-7-15/h1-11H,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide is sourced from PubChem (CID 122639188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).