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

C19H17ClN2O3 — CID 7293123

IUPACN-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCn1ccc2c(OCC(=O)NCc3ccccc3Cl)cccc2c1=O
InChIInChI=1S/C19H17ClN2O3/c1-22-10-9-14-15(19(22)24)6-4-8-17(14)25-12-18(23)21-11-13-5-2-3-7-16(13)20/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyHHLXFNSTVRUYNG-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.89
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (PubChem CID 7293123) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
PubChem CID7293123
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCn1ccc2c(OCC(=O)NCc3ccccc3Cl)cccc2c1=O
InChIInChI=1S/C19H17ClN2O3/c1-22-10-9-14-15(19(22)24)6-4-8-17(14)25-12-18(23)21-11-13-5-2-3-7-16(13)20/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyHHLXFNSTVRUYNG-UHFFFAOYSA-N
XLogP2.89
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293243
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
CID 43985195
2-methyl-5-(2-oxopropoxy)isoquinolin-1-one
CID 43985489
N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293115
2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293076
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
CID 43985187
N-cyclopentyl-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293095
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 43985196
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (CID 7293123) is N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is Cn1ccc2c(OCC(=O)NCc3ccccc3Cl)cccc2c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The InChIKey is HHLXFNSTVRUYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-22-10-9-14-15(19(22)24)6-4-8-17(14)25-12-18(23)21-11-13-5-2-3-7-16(13)20/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide has a molecular weight of 356.81 g/mol, XLogP of 2.89, 5 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-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).