2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide

C17H17FN2O — CID 2986324

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O/c18-15-7-3-4-8-16(15)19-17(21)12-20-10-9-13-5-1-2-6-14(13)11-20/h1-8H,9-12H2,(H,19,21)
InChIKeyJVEZXXUSPXUBBV-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.82
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 2986324) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide
PubChem CID2986324
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O/c18-15-7-3-4-8-16(15)19-17(21)12-20-10-9-13-5-1-2-6-14(13)11-20/h1-8H,9-12H2,(H,19,21)
InChIKeyJVEZXXUSPXUBBV-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide (CID 2986324) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide is O=C(CN1CCc2ccccc2C1)Nc1ccccc1F.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is JVEZXXUSPXUBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-7-3-4-8-16(15)19-17(21)12-20-10-9-13-5-1-2-6-14(13)11-20/h1-8H,9-12H2,(H,19,21).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 284.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2986324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).