3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide

C19H19FN2O2 — CID 110723272

IUPAC3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCC1CNC(=O)c2ccccc21
InChIInChI=1S/C19H19FN2O2/c20-17-8-4-1-5-13(17)9-10-18(23)21-11-14-12-22-19(24)16-7-3-2-6-15(14)16/h1-8,14H,9-12H2,(H,21,23)(H,22,24)
InChIKeyBTHQCYXIGKRHPH-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.40
Rot. Bonds5

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

3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide (PubChem CID 110723272) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
PubChem CID110723272
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCC1CNC(=O)c2ccccc21
InChIInChI=1S/C19H19FN2O2/c20-17-8-4-1-5-13(17)9-10-18(23)21-11-14-12-22-19(24)16-7-3-2-6-15(14)16/h1-8,14H,9-12H2,(H,21,23)(H,22,24)
InChIKeyBTHQCYXIGKRHPH-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
CID 110723204
4-fluoro-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]benzamide
CID 110723222
3-(2-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115271910
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]thiophene-2-carboxamide
CID 110723215
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide
CID 110719906
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24709286
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8636592
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 95292204

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide (CID 110723272) is 3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide is O=C(CCc1ccccc1F)NCC1CNC(=O)c2ccccc21.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide?
The InChIKey is BTHQCYXIGKRHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-17-8-4-1-5-13(17)9-10-18(23)21-11-14-12-22-19(24)16-7-3-2-6-15(14)16/h1-8,14H,9-12H2,(H,21,23)(H,22,24).
What are the key properties of 3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide?
3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide has a molecular weight of 326.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 110723272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).