2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C22H24FNO — CID 24720102

IUPAC2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCc2ccccc2C1c1ccccc1F
InChIInChI=1S/C22H24FNO/c23-20-12-6-5-11-19(20)22-18-10-4-3-9-17(18)13-14-24(22)21(25)15-16-7-1-2-8-16/h3-6,9-12,16,22H,1-2,7-8,13-15H2
InChIKeyLZSKVWVCKLRXKI-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.88
Rot. Bonds3

About 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 24720102) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID24720102
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCc2ccccc2C1c1ccccc1F
InChIInChI=1S/C22H24FNO/c23-20-12-6-5-11-19(20)22-18-10-4-3-9-17(18)13-14-24(22)21(25)15-16-7-1-2-8-16/h3-6,9-12,16,22H,1-2,7-8,13-15H2
InChIKeyLZSKVWVCKLRXKI-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 24720102) is 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is O=C(CC1CCCC1)N1CCc2ccccc2C1c1ccccc1F.
What is the InChIKey of 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is LZSKVWVCKLRXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO/c23-20-12-6-5-11-19(20)22-18-10-4-3-9-17(18)13-14-24(22)21(25)15-16-7-1-2-8-16/h3-6,9-12,16,22H,1-2,7-8,13-15H2.
What are the key properties of 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 337.44 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 24720102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).