2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide

C16H18ClNO2 — CID 112779036

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H18ClNO2/c1-3-18(4-2)16(19)11-20-15-10-9-14(17)12-7-5-6-8-13(12)15/h5-10H,3-4,11H2,1-2H3
InChIKeyYWJFMHAGIMZSLE-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.74
Rot. Bonds5

About 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide

2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide (PubChem CID 112779036) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
PubChem CID112779036
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H18ClNO2/c1-3-18(4-2)16(19)11-20-15-10-9-14(17)12-7-5-6-8-13(12)15/h5-10H,3-4,11H2,1-2H3
InChIKeyYWJFMHAGIMZSLE-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
CID 43505758
2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide
CID 172658991
2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide
CID 60773290
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
3-[[2-(5-chloroquinolin-8-yl)oxyacetyl]-ethylamino]propanoic acid
CID 120516814
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide (CID 112779036) is 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide?
The InChIKey is YWJFMHAGIMZSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-18(4-2)16(19)11-20-15-10-9-14(17)12-7-5-6-8-13(12)15/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide?
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide has a molecular weight of 291.78 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide is sourced from PubChem (CID 112779036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).