2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide

C21H20ClNO2 — CID 7916182

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C21H20ClNO2/c1-14(2)15-7-9-16(10-8-15)23-21(24)13-25-20-12-11-19(22)17-5-3-4-6-18(17)20/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyJRSPGNOBRWBHDS-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.63
Rot. Bonds5

About 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide

2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 7916182) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
PubChem CID7916182
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C21H20ClNO2/c1-14(2)15-7-9-16(10-8-15)23-21(24)13-25-20-12-11-19(22)17-5-3-4-6-18(17)20/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyJRSPGNOBRWBHDS-UHFFFAOYSA-N
XLogP5.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
CID 9230997
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-(4-chloronaphthalen-1-yl)oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7916235
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8021473
2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7859306
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 2105203
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 129156953
N-[4-[(2R)-butan-2-yl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 7765844
3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide
CID 26000335

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide (CID 7916182) is 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is JRSPGNOBRWBHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-14(2)15-7-9-16(10-8-15)23-21(24)13-25-20-12-11-19(22)17-5-3-4-6-18(17)20/h3-12,14H,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide?
2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 353.85 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7916182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).