N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide

C13H14Cl2N2O3 — CID 75371266

IUPACN-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C#N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c1-19-2-3-20-8-13(18)17-12(7-16)9-4-10(14)6-11(15)5-9/h4-6,12H,2-3,8H2,1H3,(H,17,18)
InChIKeyPWEUQJLWKZCEEY-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.34
Rot. Bonds7

About N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide

N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 75371266) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
PubChem CID75371266
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC NameN-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C#N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c1-19-2-3-20-8-13(18)17-12(7-16)9-4-10(14)6-11(15)5-9/h4-6,12H,2-3,8H2,1H3,(H,17,18)
InChIKeyPWEUQJLWKZCEEY-UHFFFAOYSA-N
XLogP2.34
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide (CID 75371266) is N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC(C#N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is PWEUQJLWKZCEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-19-2-3-20-8-13(18)17-12(7-16)9-4-10(14)6-11(15)5-9/h4-6,12H,2-3,8H2,1H3,(H,17,18).
What are the key properties of N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide?
N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 317.17 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 75371266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).