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

C22H19N3O2 — CID 122639190

IUPACN-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1
InChIInChI=1S/C22H19N3O2/c1-14-6-5-9-16(12-14)24-18-10-11-19(20-17(18)13-23-22(20)27)25-21(26)15-7-3-2-4-8-15/h2-12,24H,13H2,1H3,(H,23,27)(H,25,26)
InChIKeyQEKNLKDFJSGRND-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.23
Rot. Bonds4

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

N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide (PubChem CID 122639190) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide.

Molecular Properties

Compound NameN-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
PubChem CID122639190
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1
InChIInChI=1S/C22H19N3O2/c1-14-6-5-9-16(12-14)24-18-10-11-19(20-17(18)13-23-22(20)27)25-21(26)15-7-3-2-4-8-15/h2-12,24H,13H2,1H3,(H,23,27)(H,25,26)
InChIKeyQEKNLKDFJSGRND-UHFFFAOYSA-N
XLogP4.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-(2-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639387
N-(7-anilino-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 122639099
N-(7-anilino-3-oxo-1,2-dihydroisoindol-4-yl)-4-(2-piperidin-1-ylethylamino)benzamide;hydrochloride
CID 122639499
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639188
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
N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-3-methoxybenzamide
CID 158240240
N-[7-(2,3-dimethylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639622
(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
CID 122639404
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
The IUPAC name of N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide (CID 122639190) is N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide.
What is the SMILES notation for N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
The canonical SMILES for N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide is Cc1cccc(Nc2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1.
What is the InChIKey of N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
The InChIKey is QEKNLKDFJSGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-6-5-9-16(12-14)24-18-10-11-19(20-17(18)13-23-22(20)27)25-21(26)15-7-3-2-4-8-15/h2-12,24H,13H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide is sourced from PubChem (CID 122639190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).