(2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

C19H16N2O4 — CID 97265807

IUPAC(2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)COC2=O)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H16N2O4/c1-11(21-9-12-4-2-3-5-15(12)18(21)23)17(22)20-14-6-7-16-13(8-14)10-25-19(16)24/h2-8,11H,9-10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyAEWRHACEIXSQFS-LLVKDONJSA-N
MW336.35 g/mol
LogP2.34
Rot. Bonds3

About (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

(2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 97265807) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID97265807
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)COC2=O)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H16N2O4/c1-11(21-9-12-4-2-3-5-15(12)18(21)23)17(22)20-14-6-7-16-13(8-14)10-25-19(16)24/h2-8,11H,9-10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyAEWRHACEIXSQFS-LLVKDONJSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide with MolForge

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Related Compounds

(2S)-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 71754998
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide
CID 860482
2-(4-hydroxy-3-oxobutan-2-yl)-3H-isoindol-1-one
CID 123571476
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065
(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688661
N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906112
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 40559094
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 22524598
4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905757

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 97265807) is (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is C[C@H](C(=O)Nc1ccc2c(c1)COC2=O)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is AEWRHACEIXSQFS-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11(21-9-12-4-2-3-5-15(12)18(21)23)17(22)20-14-6-7-16-13(8-14)10-25-19(16)24/h2-8,11H,9-10H2,1H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
(2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 336.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 97265807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).