N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide

C11H10Cl2N2O2 — CID 46568862

IUPACN-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide
SMILESN#CCCNC(=O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O2/c12-8-3-1-4-9(13)11(8)17-7-10(16)15-6-2-5-14/h1,3-4H,2,6-7H2,(H,15,16)
InChIKeyKPTVCMAOQHEMSI-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.40
Rot. Bonds5

About N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide

N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide (PubChem CID 46568862) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide
PubChem CID46568862
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC NameN-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide
SMILESN#CCCNC(=O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O2/c12-8-3-1-4-9(13)11(8)17-7-10(16)15-6-2-5-14/h1,3-4H,2,6-7H2,(H,15,16)
InChIKeyKPTVCMAOQHEMSI-UHFFFAOYSA-N
XLogP2.40
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 115954541
2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide
CID 107715955
(E)-3-[2-chloro-6-[2-(2-cyanoethylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 114321133
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
3-chloro-4-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-methoxybenzoic acid
CID 28898071
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide
CID 60879269
2-(2-chloro-4-formylphenoxy)-N-(2-cyanoethyl)acetamide
CID 47408447
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 28897847
(E)-3-[2-[2-(2-cyanoethylamino)-2-oxoethoxy]-3-fluorophenyl]prop-2-enoic acid
CID 115956984
[2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 8022261
N-(2-cyanoethyl)-2-(3-formylphenoxy)acetamide
CID 24700275
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide
CID 60907526

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide (CID 46568862) is N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide is N#CCCNC(=O)COc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide?
The InChIKey is KPTVCMAOQHEMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c12-8-3-1-4-9(13)11(8)17-7-10(16)15-6-2-5-14/h1,3-4H,2,6-7H2,(H,15,16).
What are the key properties of N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide?
N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide has a molecular weight of 273.12 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide is sourced from PubChem (CID 46568862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).