N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide

C21H21ClN2O3 — CID 7293243

IUPACN-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
SMILESCCCn1ccc2c(OCC(=O)NCc3ccccc3Cl)cccc2c1=O
InChIInChI=1S/C21H21ClN2O3/c1-2-11-24-12-10-16-17(21(24)26)7-5-9-19(16)27-14-20(25)23-13-15-6-3-4-8-18(15)22/h3-10,12H,2,11,13-14H2,1H3,(H,23,25)
InChIKeyXEUIYFVRQJVWGP-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.76
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide

N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide (PubChem CID 7293243) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
PubChem CID7293243
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
SMILESCCCn1ccc2c(OCC(=O)NCc3ccccc3Cl)cccc2c1=O
InChIInChI=1S/C21H21ClN2O3/c1-2-11-24-12-10-16-17(21(24)26)7-5-9-19(16)27-14-20(25)23-13-15-6-3-4-8-18(15)22/h3-10,12H,2,11,13-14H2,1H3,(H,23,25)
InChIKeyXEUIYFVRQJVWGP-UHFFFAOYSA-N
XLogP3.76
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293123
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293213
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
CID 7293336
N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 43985264
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxy-N-propylacetamide
CID 43985309
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-prop-2-enylacetamide
CID 18575801
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one
CID 7293171

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide (CID 7293243) is N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide is CCCn1ccc2c(OCC(=O)NCc3ccccc3Cl)cccc2c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
The InChIKey is XEUIYFVRQJVWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-2-11-24-12-10-16-17(21(24)26)7-5-9-19(16)27-14-20(25)23-13-15-6-3-4-8-18(15)22/h3-10,12H,2,11,13-14H2,1H3,(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide has a molecular weight of 384.86 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).