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

C22H21N3O4 — CID 122639060

IUPACN-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide
SMILESCOCCNc1ccc(C(=O)Nc2ccc(-c3ccco3)c3c2C(=O)NC3)cc1
InChIInChI=1S/C22H21N3O4/c1-28-12-10-23-15-6-4-14(5-7-15)21(26)25-18-9-8-16(19-3-2-11-29-19)17-13-24-22(27)20(17)18/h2-9,11,23H,10,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyZNTSIQFFKMVJRM-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.50
Rot. Bonds7

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

N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide (PubChem CID 122639060) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide.

Molecular Properties

Compound NameN-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide
PubChem CID122639060
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide
SMILESCOCCNc1ccc(C(=O)Nc2ccc(-c3ccco3)c3c2C(=O)NC3)cc1
InChIInChI=1S/C22H21N3O4/c1-28-12-10-23-15-6-4-14(5-7-15)21(26)25-18-9-8-16(19-3-2-11-29-19)17-13-24-22(27)20(17)18/h2-9,11,23H,10,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyZNTSIQFFKMVJRM-UHFFFAOYSA-N
XLogP3.50
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide
CID 147020302
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-[3-(4-methylpiperazin-1-yl)propylamino]benzamide
CID 122639476
N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide
CID 122639354
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
CID 122639167
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-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
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 122639089
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255

Frequently Asked Questions

What is the IUPAC name of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide?
The IUPAC name of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide (CID 122639060) is N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide.
What is the SMILES notation for N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide?
The canonical SMILES for N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide is COCCNc1ccc(C(=O)Nc2ccc(-c3ccco3)c3c2C(=O)NC3)cc1.
What is the InChIKey of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide?
The InChIKey is ZNTSIQFFKMVJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-12-10-23-15-6-4-14(5-7-15)21(26)25-18-9-8-16(19-3-2-11-29-19)17-13-24-22(27)20(17)18/h2-9,11,23H,10,12-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide?
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide has a molecular weight of 391.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 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-methoxyethylamino)benzamide is sourced from PubChem (CID 122639060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).