2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide

C12H11ClN2O3 — CID 39050836

IUPAC2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)COc1ccc(Cl)cc1C=O
InChIInChI=1S/C12H11ClN2O3/c13-10-2-3-11(9(6-10)7-16)18-8-12(17)15-5-1-4-14/h2-3,6-7H,1,5,8H2,(H,15,17)
InChIKeyZUJLKFMVHXEOGC-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.56
Rot. Bonds6

About 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide

2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide (PubChem CID 39050836) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide
PubChem CID39050836
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)COc1ccc(Cl)cc1C=O
InChIInChI=1S/C12H11ClN2O3/c13-10-2-3-11(9(6-10)7-16)18-8-12(17)15-5-1-4-14/h2-3,6-7H,1,5,8H2,(H,15,17)
InChIKeyZUJLKFMVHXEOGC-UHFFFAOYSA-N
XLogP1.56
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-formylphenoxy)-N-(2-cyanoethyl)acetamide
CID 47408447
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-cyanoethyl)acetamide
CID 60882577
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
N-(2-cyanoethyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854138
3-[3-chloro-4-[2-(2-cyanoethylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 76914549
4-[2-(2-cyanoethylamino)-2-oxoethoxy]-3-fluorobenzoic acid
CID 107689846
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201772
2-(2-amino-4-methylphenoxy)-N-(2-cyanoethyl)acetamide
CID 61313604
N-(2-cyanoethyl)-2-(3-formylphenoxy)acetamide
CID 24700275
(E)-3-[5-chloro-2-[2-oxo-2-(propylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43142029
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 28897847

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide (CID 39050836) is 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)COc1ccc(Cl)cc1C=O.
What is the InChIKey of 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide?
The InChIKey is ZUJLKFMVHXEOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-10-2-3-11(9(6-10)7-16)18-8-12(17)15-5-1-4-14/h2-3,6-7H,1,5,8H2,(H,15,17).
What are the key properties of 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide?
2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide has a molecular weight of 266.68 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 39050836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).