N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide

C13H14ClFN2O3 — CID 75371264

IUPACN-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C#N)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O3/c1-19-5-6-20-8-12(18)17-11(7-16)13-9(14)3-2-4-10(13)15/h2-4,11H,5-6,8H2,1H3,(H,17,18)
InChIKeyFEBLFNJFNXWCOP-UHFFFAOYSA-N
MW300.72 g/mol
LogP1.82
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide

N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 75371264) has the molecular formula C13H14ClFN2O3 and a molecular weight of 300.72 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide
PubChem CID75371264
Molecular FormulaC13H14ClFN2O3
Molecular Weight300.72 g/mol
Exact Mass300.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C#N)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O3/c1-19-5-6-20-8-12(18)17-11(7-16)13-9(14)3-2-4-10(13)15/h2-4,11H,5-6,8H2,1H3,(H,17,18)
InChIKeyFEBLFNJFNXWCOP-UHFFFAOYSA-N
XLogP1.82
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 51.82
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-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide (CID 75371264) is N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC(C#N)c1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is FEBLFNJFNXWCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O3/c1-19-5-6-20-8-12(18)17-11(7-16)13-9(14)3-2-4-10(13)15/h2-4,11H,5-6,8H2,1H3,(H,17,18).
What are the key properties of N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide?
N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 300.72 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)-cyanomethyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 75371264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).