N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide

C24H27FN2O3 — CID 2152155

IUPACN-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
SMILESO=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)NC1CCCCC1
InChIInChI=1S/C24H27FN2O3/c25-21-11-5-4-7-17(21)15-27-14-13-19-20(24(27)29)10-6-12-22(19)30-16-23(28)26-18-8-2-1-3-9-18/h4-7,10-12,18H,1-3,8-9,13-16H2,(H,26,28)
InChIKeyTWBPGGDFIHBWQP-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.85
Rot. Bonds6

About N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide

N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide (PubChem CID 2152155) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
PubChem CID2152155
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
SMILESO=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)NC1CCCCC1
InChIInChI=1S/C24H27FN2O3/c25-21-11-5-4-7-17(21)15-27-14-13-19-20(24(27)29)10-6-12-22(19)30-16-23(28)26-18-8-2-1-3-9-18/h4-7,10-12,18H,1-3,8-9,13-16H2,(H,26,28)
InChIKeyTWBPGGDFIHBWQP-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide 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

N-(4-bromophenyl)-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 2152164
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 2152171
N-cyclohexyl-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402250
5-[(4-fluorophenyl)methoxy]-2-[(2-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152142
N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385132
N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide
CID 76984645
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
N-cyclohexyl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077194
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110714979
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
2-[(4-chlorophenyl)methyl]-5-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
CID 2152105
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide (CID 2152155) is N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide is O=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide?
The InChIKey is TWBPGGDFIHBWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-21-11-5-4-7-17(21)15-27-14-13-19-20(24(27)29)10-6-12-22(19)30-16-23(28)26-18-8-2-1-3-9-18/h4-7,10-12,18H,1-3,8-9,13-16H2,(H,26,28).
What are the key properties of N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide?
N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide has a molecular weight of 410.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide is sourced from PubChem (CID 2152155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).