N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide

C17H16N2O2 — CID 56624959

IUPACN-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-12(20)18-10-13-6-8-15(9-7-13)19-11-14-4-2-3-5-16(14)17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyFQIAAYYULHAPSN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.48
Rot. Bonds3

About N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide

N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide (PubChem CID 56624959) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide
PubChem CID56624959
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-12(20)18-10-13-6-8-15(9-7-13)19-11-14-4-2-3-5-16(14)17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyFQIAAYYULHAPSN-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
CID 71339265
4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide
CID 54860005
N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
CID 171795259
butanedioic acid;(2S)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 56652023
ethyl (E)-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enoate
CID 67044953
3,3,4,4,4-pentadeuterio-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 163322451
N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905972
1-benzyl-3-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]urea
CID 66491140
nonyl 4-(3-oxo-1H-isoindol-2-yl)benzoate
CID 15937399
nitric acid;2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 56652366

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide (CID 56624959) is N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide?
The InChIKey is FQIAAYYULHAPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(20)18-10-13-6-8-15(9-7-13)19-11-14-4-2-3-5-16(14)17(19)21/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide?
N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 56624959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).