2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide

C13H12ClNO3 — CID 27745141

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
SMILESCONC(=O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C13H12ClNO3/c1-17-15-13(16)8-18-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-7H,8H2,1H3,(H,15,16)
InChIKeySNNVOXOBHOGJIA-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide

2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide (PubChem CID 27745141) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
PubChem CID27745141
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
SMILESCONC(=O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C13H12ClNO3/c1-17-15-13(16)8-18-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-7H,8H2,1H3,(H,15,16)
InChIKeySNNVOXOBHOGJIA-UHFFFAOYSA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
CID 9230997
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
2-(4-chloronaphthalen-1-yl)oxy-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9328047
2-(4-chloronaphthalen-1-yl)oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7916235
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732823
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide
CID 31364839
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732341
phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732424

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide (CID 27745141) is 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide is CONC(=O)COc1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide?
The InChIKey is SNNVOXOBHOGJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-17-15-13(16)8-18-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide?
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide has a molecular weight of 265.70 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide is sourced from PubChem (CID 27745141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).