N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide

C22H19ClN2O2 — CID 20985777

IUPACN-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C22H19ClN2O2/c23-20-8-4-2-6-17(20)15-27-21-10-9-16-5-1-3-7-18(16)19(21)12-14-25-22(26)11-13-24/h1-10H,11-12,14-15H2,(H,25,26)
InChIKeyXPTWKMYFRGPPBU-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.64
Rot. Bonds7

About N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide

N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide (PubChem CID 20985777) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide
PubChem CID20985777
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C22H19ClN2O2/c23-20-8-4-2-6-17(20)15-27-21-10-9-16-5-1-3-7-18(16)19(21)12-14-25-22(26)11-13-24/h1-10H,11-12,14-15H2,(H,25,26)
InChIKeyXPTWKMYFRGPPBU-UHFFFAOYSA-N
XLogP4.64
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide
CID 20988373
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
CID 22683076
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide
CID 20994358
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20986144
N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20992512
N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
CID 20989037
2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
CID 22686205
2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
CID 20992669
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20990085
[2-(2-cyanoethylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 42984687

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide?
The IUPAC name of N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide (CID 20985777) is N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide.
What is the SMILES notation for N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide?
The canonical SMILES for N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide is N#CCC(=O)NCCc1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide?
The InChIKey is XPTWKMYFRGPPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-20-8-4-2-6-17(20)15-27-21-10-9-16-5-1-3-7-18(16)19(21)12-14-25-22(26)11-13-24/h1-10H,11-12,14-15H2,(H,25,26).
What are the key properties of N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide?
N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide has a molecular weight of 378.86 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide is sourced from PubChem (CID 20985777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).