1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone

C23H20FNO — CID 132503091

IUPAC1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
SMILESO=C(CC1c2ccccc2CCN1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO/c24-19-12-10-18(11-13-19)23(26)16-22-21-9-5-4-6-17(21)14-15-25(22)20-7-2-1-3-8-20/h1-13,22H,14-16H2
InChIKeyOWRLYPADARJFCM-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.20
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone

1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone (PubChem CID 132503091) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
PubChem CID132503091
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
SMILESO=C(CC1c2ccccc2CCN1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO/c24-19-12-10-18(11-13-19)23(26)16-22-21-9-5-4-6-17(21)14-15-25(22)20-7-2-1-3-8-20/h1-13,22H,14-16H2
InChIKeyOWRLYPADARJFCM-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Related Compounds

1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 156774963
S-tert-butyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanethioate
CID 135000085
[2-(4-fluorophenyl)-2-oxoethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 23855331
1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 146165240
2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 101474371
1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone
CID 102390710
[(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium
CID 175359914
1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 132543559
1-[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]hexan-2-one
CID 71567840
3-(4-fluorophenyl)-4-phenacyl-4H-1,3-benzoxazin-2-one
CID 132585134
2-chloro-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 155390479
2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone
CID 24733829

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone (CID 132503091) is 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone is O=C(CC1c2ccccc2CCN1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone?
The InChIKey is OWRLYPADARJFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO/c24-19-12-10-18(11-13-19)23(26)16-22-21-9-5-4-6-17(21)14-15-25(22)20-7-2-1-3-8-20/h1-13,22H,14-16H2.
What are the key properties of 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone?
1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone has a molecular weight of 345.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone is sourced from PubChem (CID 132503091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).