2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide

C13H16ClNO5 — CID 43589731

IUPAC2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C13H16ClNO5/c1-18-4-3-15-12(17)8-20-13-10(14)5-9(7-16)6-11(13)19-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyAHQXBSRSYJSOMX-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.30
Rot. Bonds8

About 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide

2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 43589731) has the molecular formula C13H16ClNO5 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID43589731
Molecular FormulaC13H16ClNO5
Molecular Weight301.73 g/mol
Exact Mass301.07
IUPAC Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C13H16ClNO5/c1-18-4-3-15-12(17)8-20-13-10(14)5-9(7-16)6-11(13)19-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyAHQXBSRSYJSOMX-UHFFFAOYSA-N
XLogP1.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-formyl-6-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 28897847
3-chloro-5-methoxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 61487582
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
CID 62326853
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913450
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 43622439
3-chloro-4-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxybenzaldehyde
CID 106438560
N-(cyanomethyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 43516619
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 61486427
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide (CID 43589731) is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1c(Cl)cc(C=O)cc1OC.
What is the InChIKey of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is AHQXBSRSYJSOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5/c1-18-4-3-15-12(17)8-20-13-10(14)5-9(7-16)6-11(13)19-2/h5-7H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide?
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 301.73 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 43589731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).