4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one

C17H17FN2O — CID 136575575

IUPAC4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one
SMILESCN(C)Cc1ccc(-c2cccc3c2CNC3=O)cc1F
InChIInChI=1S/C17H17FN2O/c1-20(2)10-12-7-6-11(8-16(12)18)13-4-3-5-14-15(13)9-19-17(14)21/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyTZLQSWQSDPNSAM-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.80
Rot. Bonds3

About 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one

4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one (PubChem CID 136575575) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one
PubChem CID136575575
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one
SMILESCN(C)Cc1ccc(-c2cccc3c2CNC3=O)cc1F
InChIInChI=1S/C17H17FN2O/c1-20(2)10-12-7-6-11(8-16(12)18)13-4-3-5-14-15(13)9-19-17(14)21/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyTZLQSWQSDPNSAM-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one (CID 136575575) is 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one is CN(C)Cc1ccc(-c2cccc3c2CNC3=O)cc1F.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one?
The InChIKey is TZLQSWQSDPNSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20(2)10-12-7-6-11(8-16(12)18)13-4-3-5-14-15(13)9-19-17(14)21/h3-8H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one?
4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one has a molecular weight of 284.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 136575575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).