N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C19H16N2O3 — CID 131898238

IUPACN-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1cc2cc(NC(=O)CC3NC(=O)c4ccccc43)ccc2o1
InChIInChI=1S/C19H16N2O3/c1-11-8-12-9-13(6-7-17(12)24-11)20-18(22)10-16-14-4-2-3-5-15(14)19(23)21-16/h2-9,16H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyAKWGBUBVKTUZQN-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.55
Rot. Bonds3

About N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 131898238) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID131898238
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1cc2cc(NC(=O)CC3NC(=O)c4ccccc43)ccc2o1
InChIInChI=1S/C19H16N2O3/c1-11-8-12-9-13(6-7-17(12)24-11)20-18(22)10-16-14-4-2-3-5-15(14)19(23)21-16/h2-9,16H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyAKWGBUBVKTUZQN-UHFFFAOYSA-N
XLogP3.55
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylindol-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 71701889
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(2-oxo-1H-pyridin-4-yl)acetamide
CID 157016749
N-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 97424959
formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 163338159
2-[3,5-dimethyl-4-[[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]amino]pyrazol-1-yl]acetic acid
CID 46988724
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
methyl N-(2-methyl-1-benzofuran-5-yl)carbamate
CID 154667051
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 71705684
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 155916871
N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 71705159
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56742276

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 131898238) is N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is Cc1cc2cc(NC(=O)CC3NC(=O)c4ccccc43)ccc2o1.
What is the InChIKey of N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is AKWGBUBVKTUZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11-8-12-9-13(6-7-17(12)24-11)20-18(22)10-16-14-4-2-3-5-15(14)19(23)21-16/h2-9,16H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 131898238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).