N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide

C22H19ClN2O3 — CID 20989037

IUPACN-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCc1c(OCCOc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C22H19ClN2O3/c23-17-6-8-18(9-7-17)27-13-14-28-21-10-5-16-3-1-2-4-19(16)20(21)15-25-22(26)11-12-24/h1-10H,11,13-15H2,(H,25,26)
InChIKeyZDLVVOQFJPCQEN-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.48
Rot. Bonds8

About N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide

N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide (PubChem CID 20989037) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
PubChem CID20989037
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCc1c(OCCOc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C22H19ClN2O3/c23-17-6-8-18(9-7-17)27-13-14-28-21-10-5-16-3-1-2-4-19(16)20(21)15-25-22(26)11-12-24/h1-10H,11,13-15H2,(H,25,26)
InChIKeyZDLVVOQFJPCQEN-UHFFFAOYSA-N
XLogP4.48
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
CID 20992669
2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
CID 22686205
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20991454
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
4-oxo-4-[[2-(2-phenoxyethoxy)naphthalen-1-yl]methylamino]butanoic acid
CID 22687298
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
CID 22683076
2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990609
N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide
CID 20985777
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
N-[2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]ethyl]-2-cyanoacetamide
CID 22680206
N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985367

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide (CID 20989037) is N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide is N#CCC(=O)NCc1c(OCCOc2ccc(Cl)cc2)ccc2ccccc12.
What is the InChIKey of N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide?
The InChIKey is ZDLVVOQFJPCQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-17-6-8-18(9-7-17)27-13-14-28-21-10-5-16-3-1-2-4-19(16)20(21)15-25-22(26)11-12-24/h1-10H,11,13-15H2,(H,25,26).
What are the key properties of N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide?
N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide has a molecular weight of 394.86 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 20989037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).