2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide

C21H15ClN2O3 — CID 4785529

IUPAC2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCC(=O)c1ccc2ccccc2c1OCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C21H15ClN2O3/c1-13(25)17-9-7-14-4-2-3-5-18(14)21(17)27-12-20(26)24-16-8-6-15(11-23)19(22)10-16/h2-10H,12H2,1H3,(H,24,26)
InChIKeyIHOWAGOHBDDVPJ-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide

2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 4785529) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID4785529
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCC(=O)c1ccc2ccccc2c1OCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C21H15ClN2O3/c1-13(25)17-9-7-14-4-2-3-5-18(14)21(17)27-12-20(26)24-16-8-6-15(11-23)19(22)10-16/h2-10H,12H2,1H3,(H,24,26)
InChIKeyIHOWAGOHBDDVPJ-UHFFFAOYSA-N
XLogP4.58
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25491912
N-(3-chloro-4-cyanophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652495
2-(9H-carbazol-2-yloxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 7714260
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8020366
N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2103781
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7624807
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856589
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227700
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 7564291
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724580
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927109

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide (CID 4785529) is 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide is CC(=O)c1ccc2ccccc2c1OCC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is IHOWAGOHBDDVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c1-13(25)17-9-7-14-4-2-3-5-18(14)21(17)27-12-20(26)24-16-8-6-15(11-23)19(22)10-16/h2-10H,12H2,1H3,(H,24,26).
What are the key properties of 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide?
2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 378.82 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 4785529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).