N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

C17H16N2O2 — CID 7678919

IUPACN-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16(18-11-12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17(21)19-15/h1-9,15H,10-11H2,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyGJEGEWFKTZGQJZ-HNNXBMFYSA-N
MW280.33 g/mol
LogP2.18
Rot. Bonds4

About N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (PubChem CID 7678919) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
PubChem CID7678919
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16(18-11-12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17(21)19-15/h1-9,15H,10-11H2,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyGJEGEWFKTZGQJZ-HNNXBMFYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 40535831
N-benzyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829877
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56742276
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 126828535
3-phenacyl-2,3-dihydroisoindol-1-one
CID 10857928
N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide
CID 177414961
N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95134592
3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 139015179
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56861398

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (CID 7678919) is N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The InChIKey is GJEGEWFKTZGQJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16(18-11-12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17(21)19-15/h1-9,15H,10-11H2,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is sourced from PubChem (CID 7678919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).