N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide

C20H19ClN2O3 — CID 7293164

IUPACN-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCCn1ccc2c(OCC(=O)Nc3ccc(C)c(Cl)c3)cccc2c1=O
InChIInChI=1S/C20H19ClN2O3/c1-3-23-10-9-15-16(20(23)25)5-4-6-18(15)26-12-19(24)22-14-8-7-13(2)17(21)11-14/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyJJLWZZSCODHFRU-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.00
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide

N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide (PubChem CID 7293164) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide
PubChem CID7293164
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCCn1ccc2c(OCC(=O)Nc3ccc(C)c(Cl)c3)cccc2c1=O
InChIInChI=1S/C20H19ClN2O3/c1-3-23-10-9-15-16(20(23)25)5-4-6-18(15)26-12-19(24)22-14-8-7-13(2)17(21)11-14/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyJJLWZZSCODHFRU-UHFFFAOYSA-N
XLogP4.00
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[(2-{[(4-ethylphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]propanoate
CID 4419408
Ethyl 2-[(2-{[(4-butylphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]propanoate
CID 4461168
Ethyl 2-[(2-{[(4-methylphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]propanoate
CID 4597675
N-[4-(7-Chloro-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-3-methyl-phenyl]-2-o-tolyloxy-acetamide
CID 44357890
2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
CID 2151930
2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
CID 4572321
N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385118
2-Chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)-phenyl]-benzamide
CID 600466
N-(3-chlorophenyl)-1-(3-methoxybenzoyl)-4-piperidinecarboxamide
CID 4604409
N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide
CID 975145
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 1256029
2-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethoxy}-N-phenylbenzamide
CID 1260112

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide (CID 7293164) is N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide is CCn1ccc2c(OCC(=O)Nc3ccc(C)c(Cl)c3)cccc2c1=O.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The InChIKey is JJLWZZSCODHFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-3-23-10-9-15-16(20(23)25)5-4-6-18(15)26-12-19(24)22-14-8-7-13(2)17(21)11-14/h4-11H,3,12H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide?
N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide has a molecular weight of 370.84 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).