N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide

C16H16N2O — CID 130430852

IUPACN-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1-c1ccccc1)CNC2
InChIInChI=1S/C16H16N2O/c1-11(19)18-15-8-7-13-9-17-10-14(13)16(15)12-5-3-2-4-6-12/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyGXGOYGUYIGFTLW-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.92
Rot. Bonds2

About N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide

N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide (PubChem CID 130430852) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide
PubChem CID130430852
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1-c1ccccc1)CNC2
InChIInChI=1S/C16H16N2O/c1-11(19)18-15-8-7-13-9-17-10-14(13)16(15)12-5-3-2-4-6-12/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyGXGOYGUYIGFTLW-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2,3-dihydro-1H-benzo[f]isoindole
CID 132580543
N-(2,3,5-trifluoro-4-phenylphenyl)acetamide
CID 102132684
2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 116675615
2-acetamido-5-phenylbenzoic acid
CID 70700127
(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide
CID 161009994
phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
CID 140749368
2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
CID 84664529
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-(4-phenylphenyl)acetamide
CID 19998
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 120882213
3-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 82583495

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide?
The IUPAC name of N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide (CID 130430852) is N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide.
What is the SMILES notation for N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide?
The canonical SMILES for N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1-c1ccccc1)CNC2.
What is the InChIKey of N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide?
The InChIKey is GXGOYGUYIGFTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11(19)18-15-8-7-13-9-17-10-14(13)16(15)12-5-3-2-4-6-12/h2-8,17H,9-10H2,1H3,(H,18,19).
What are the key properties of N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide?
N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-2,3-dihydro-1H-isoindol-5-yl)acetamide is sourced from PubChem (CID 130430852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).