1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone

C18H19FN2O — CID 72888102

IUPAC1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone
SMILESCN(C)C(C(=O)N1Cc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C18H19FN2O/c1-20(2)17(15-9-5-6-10-16(15)19)18(22)21-11-13-7-3-4-8-14(13)12-21/h3-10,17H,11-12H2,1-2H3
InChIKeyVPIMGTJNWYETFD-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.97
Rot. Bonds3

About 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone

1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone (PubChem CID 72888102) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone
PubChem CID72888102
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone
SMILESCN(C)C(C(=O)N1Cc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C18H19FN2O/c1-20(2)17(15-9-5-6-10-16(15)19)18(22)21-11-13-7-3-4-8-14(13)12-21/h3-10,17H,11-12H2,1-2H3
InChIKeyVPIMGTJNWYETFD-UHFFFAOYSA-N
XLogP2.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone (CID 72888102) is 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone is CN(C)C(C(=O)N1Cc2ccccc2C1)c1ccccc1F.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone?
The InChIKey is VPIMGTJNWYETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-20(2)17(15-9-5-6-10-16(15)19)18(22)21-11-13-7-3-4-8-14(13)12-21/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone?
1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone has a molecular weight of 298.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 72888102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).