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

C19H21BrN4O2 — CID 122639354

IUPACN-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(Br)c3c2C(=O)NC3)cc1
InChIInChI=1S/C19H21BrN4O2/c1-24(2)10-9-21-13-5-3-12(4-6-13)18(25)23-16-8-7-15(20)14-11-22-19(26)17(14)16/h3-8,21H,9-11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyBCTZQGLJSNCNLP-UHFFFAOYSA-N
MW417.31 g/mol
LogP2.92
Rot. Bonds6

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

N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide (PubChem CID 122639354) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide.

Molecular Properties

Compound NameN-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide
PubChem CID122639354
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC NameN-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(Br)c3c2C(=O)NC3)cc1
InChIInChI=1S/C19H21BrN4O2/c1-24(2)10-9-21-13-5-3-12(4-6-13)18(25)23-16-8-7-15(20)14-11-22-19(26)17(14)16/h3-8,21H,9-11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyBCTZQGLJSNCNLP-UHFFFAOYSA-N
XLogP2.92
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide
CID 122639297
N-(7-anilino-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 122639099
4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
CID 122639404
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
N-(7-anilino-3-oxo-1,2-dihydroisoindol-4-yl)-4-(2-piperidin-1-ylethylamino)benzamide;hydrochloride
CID 122639499
N-[7-(2,3-dimethylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639622
N-[7-[(3-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 158367827
N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639190
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-[3-(4-methylpiperazin-1-yl)propylamino]benzamide
CID 122639476
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane
CID 142931440
4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 58692666

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide?
The IUPAC name of N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide (CID 122639354) is N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide.
What is the SMILES notation for N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide?
The canonical SMILES for N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide is CN(C)CCNc1ccc(C(=O)Nc2ccc(Br)c3c2C(=O)NC3)cc1.
What is the InChIKey of N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide?
The InChIKey is BCTZQGLJSNCNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c1-24(2)10-9-21-13-5-3-12(4-6-13)18(25)23-16-8-7-15(20)14-11-22-19(26)17(14)16/h3-8,21H,9-11H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide?
N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide has a molecular weight of 417.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide is sourced from PubChem (CID 122639354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).