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

C18H19FN2O — CID 740149

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCc2ccccc2C1)Nc1ccccc1F
InChIInChI=1S/C18H19FN2O/c19-16-7-3-4-8-17(16)20-18(22)10-12-21-11-9-14-5-1-2-6-15(14)13-21/h1-8H,9-13H2,(H,20,22)
InChIKeyKCENAYZKEVDPSD-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.21
Rot. Bonds4

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

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide (PubChem CID 740149) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide
PubChem CID740149
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCc2ccccc2C1)Nc1ccccc1F
InChIInChI=1S/C18H19FN2O/c19-16-7-3-4-8-17(16)20-18(22)10-12-21-11-9-14-5-1-2-6-15(14)13-21/h1-8H,9-13H2,(H,20,22)
InChIKeyKCENAYZKEVDPSD-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide (CID 740149) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide is O=C(CCN1CCc2ccccc2C1)Nc1ccccc1F.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide?
The InChIKey is KCENAYZKEVDPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-7-3-4-8-17(16)20-18(22)10-12-21-11-9-14-5-1-2-6-15(14)13-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide has a molecular weight of 298.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 740149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).