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

C21H19N3O4 — CID 122639297

IUPACN-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide
SMILESO=C(Nc1ccc(-c2ccco2)c2c1C(=O)NC2)c1ccc(NCCO)cc1
InChIInChI=1S/C21H19N3O4/c25-10-9-22-14-5-3-13(4-6-14)20(26)24-17-8-7-15(18-2-1-11-28-18)16-12-23-21(27)19(16)17/h1-8,11,22,25H,9-10,12H2,(H,23,27)(H,24,26)
InChIKeyHSKHQEUCXLXYOL-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.85
Rot. Bonds6

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

N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide (PubChem CID 122639297) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide.

Molecular Properties

Compound NameN-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide
PubChem CID122639297
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide
SMILESO=C(Nc1ccc(-c2ccco2)c2c1C(=O)NC2)c1ccc(NCCO)cc1
InChIInChI=1S/C21H19N3O4/c25-10-9-22-14-5-3-13(4-6-14)20(26)24-17-8-7-15(18-2-1-11-28-18)16-12-23-21(27)19(16)17/h1-8,11,22,25H,9-10,12H2,(H,23,27)(H,24,26)
InChIKeyHSKHQEUCXLXYOL-UHFFFAOYSA-N
XLogP2.85
TPSA103.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide
CID 122639060
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide
CID 147020302
N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide
CID 122639354
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-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-[3-(4-methylpiperazin-1-yl)propylamino]benzamide
CID 122639476
N-[7-[(3-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 158367827
N-[7-(2,3-dimethylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639622
4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
CID 122639404
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240

Frequently Asked Questions

What is the IUPAC name of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide?
The IUPAC name of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide (CID 122639297) is N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide.
What is the SMILES notation for N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide?
The canonical SMILES for N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide is O=C(Nc1ccc(-c2ccco2)c2c1C(=O)NC2)c1ccc(NCCO)cc1.
What is the InChIKey of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide?
The InChIKey is HSKHQEUCXLXYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-10-9-22-14-5-3-13(4-6-14)20(26)24-17-8-7-15(18-2-1-11-28-18)16-12-23-21(27)19(16)17/h1-8,11,22,25H,9-10,12H2,(H,23,27)(H,24,26).
What are the key properties of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide?
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide has a molecular weight of 377.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide is sourced from PubChem (CID 122639297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).