N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide

C18H17ClN2O3 — CID 20985367

IUPACN-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCc1ccccc1OCCOc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O3/c19-15-6-2-4-8-17(15)24-12-11-23-16-7-3-1-5-14(16)13-21-18(22)9-10-20/h1-8H,9,11-13H2,(H,21,22)
InChIKeyOBGHDWBMTYPEBW-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.33
Rot. Bonds8

About N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide

N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide (PubChem CID 20985367) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
PubChem CID20985367
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCc1ccccc1OCCOc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O3/c19-15-6-2-4-8-17(15)24-12-11-23-16-7-3-1-5-14(16)13-21-18(22)9-10-20/h1-8H,9,11-13H2,(H,21,22)
InChIKeyOBGHDWBMTYPEBW-UHFFFAOYSA-N
XLogP3.33
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.33
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

4-(2-chlorophenoxy)-N-[[2-[(2-cyanoacetyl)amino]phenyl]methyl]butanamide
CID 108923588
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
CID 22683914
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
N-[2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]ethyl]-2-cyanoacetamide
CID 22680206
2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22681411
N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20992512
N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923717
2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923501
3-bromo-4-chloro-N-[[2-(3-cyanopropoxy)phenyl]methyl]benzamide
CID 91246387
1-[3-(2-chlorophenoxy)propyl]-3-(2-cyanoethyl)urea
CID 108883678
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20986144
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide
CID 20994358

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide (CID 20985367) is N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide is N#CCC(=O)NCc1ccccc1OCCOc1ccccc1Cl.
What is the InChIKey of N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide?
The InChIKey is OBGHDWBMTYPEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-15-6-2-4-8-17(15)24-12-11-23-16-7-3-1-5-14(16)13-21-18(22)9-10-20/h1-8H,9,11-13H2,(H,21,22).
What are the key properties of N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide?
N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide has a molecular weight of 344.80 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 20985367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).