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

C16H14N2O2 — CID 95561425

IUPACN-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide
SMILESCC(=O)N[C@]1(c2ccccc2)NC(=O)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-11(19)17-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(20)18-16/h2-10H,1H3,(H,17,19)(H,18,20)/t16-/m1/s1
InChIKeyYKAGSNJBOLPVNW-MRXNPFEDSA-N
MW266.30 g/mol
LogP1.77
Rot. Bonds2

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

N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide (PubChem CID 95561425) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide
PubChem CID95561425
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide
SMILESCC(=O)N[C@]1(c2ccccc2)NC(=O)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-11(19)17-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(20)18-16/h2-10H,1H3,(H,17,19)(H,18,20)/t16-/m1/s1
InChIKeyYKAGSNJBOLPVNW-MRXNPFEDSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide
CID 165354617
dimethyl 3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471809
N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide
CID 166506242
(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
CID 124705216
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one
CID 162410824
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
3-hydroxy-3-[(N-methylanilino)methyl]-2H-isoindol-1-one
CID 12996970
3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2H-isoindol-1-one
CID 70289948
methyl (2S,5R)-5-acetamido-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate
CID 101252237
N-(2-anilino-1,3-dioxoinden-2-yl)acetamide
CID 91678904
spiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 170518385
3-cyclohexyl-3-phenyl-2H-isoindol-1-one
CID 134952980

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide?
The IUPAC name of N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide (CID 95561425) is N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide?
The canonical SMILES for N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide is CC(=O)N[C@]1(c2ccccc2)NC(=O)c2ccccc21.
What is the InChIKey of N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide?
The InChIKey is YKAGSNJBOLPVNW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11(19)17-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(20)18-16/h2-10H,1H3,(H,17,19)(H,18,20)/t16-/m1/s1.
What are the key properties of N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide?
N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide is sourced from PubChem (CID 95561425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).