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

C18H19FN2O — CID 2474036

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1F
InChIInChI=1S/C18H19FN2O/c1-13-6-7-16(10-17(13)19)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeySMWKYXQWMUYNMC-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.13
Rot. Bonds3

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 2474036) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID2474036
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1F
InChIInChI=1S/C18H19FN2O/c1-13-6-7-16(10-17(13)19)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeySMWKYXQWMUYNMC-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.13
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-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 2474036) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1F.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is SMWKYXQWMUYNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-13-6-7-16(10-17(13)19)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 298.36 g/mol, XLogP of 3.13, 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 2474036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).