N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide

C18H15ClN2O3 — CID 43985456

IUPACN-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc3c(=O)[nH]ccc23)cc1Cl
InChIInChI=1S/C18H15ClN2O3/c1-11-5-6-12(9-15(11)19)21-17(22)10-24-16-4-2-3-14-13(16)7-8-20-18(14)23/h2-9H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyKAMKKCHWJRGXFT-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.51
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide

N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide (PubChem CID 43985456) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
PubChem CID43985456
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc3c(=O)[nH]ccc23)cc1Cl
InChIInChI=1S/C18H15ClN2O3/c1-11-5-6-12(9-15(11)19)21-17(22)10-24-16-4-2-3-14-13(16)7-8-20-18(14)23/h2-9H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyKAMKKCHWJRGXFT-UHFFFAOYSA-N
XLogP3.51
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
CID 43985399
N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293115
N-(3-chloro-4-fluorophenyl)-2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055980
N-tert-butyl-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
CID 43985442
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
2-(4-chloronaphthalen-1-yl)oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7916235
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2637238
2-(2,3-dimethoxyphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 112978425
3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707298
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 19202385

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide (CID 43985456) is N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide is Cc1ccc(NC(=O)COc2cccc3c(=O)[nH]ccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide?
The InChIKey is KAMKKCHWJRGXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-11-5-6-12(9-15(11)19)21-17(22)10-24-16-4-2-3-14-13(16)7-8-20-18(14)23/h2-9H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide has a molecular weight of 342.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide is sourced from PubChem (CID 43985456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).