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

C18H18ClNO5 — CID 28913373

IUPAC2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C18H18ClNO5/c1-3-24-15-7-5-4-6-14(15)20-17(22)11-25-18-13(19)8-12(10-21)9-16(18)23-2/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyPXQSPVSRRCPAGY-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.58
Rot. Bonds8

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

2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide (PubChem CID 28913373) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
PubChem CID28913373
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C18H18ClNO5/c1-3-24-15-7-5-4-6-14(15)20-17(22)11-25-18-13(19)8-12(10-21)9-16(18)23-2/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyPXQSPVSRRCPAGY-UHFFFAOYSA-N
XLogP3.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-ethoxy-4-formylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 28913481
N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696063
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913450
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide
CID 7706874
2-[2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 3942584
[2-(2-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253818
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
2-(2-chloro-4,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 23790866
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-chlorophenyl)acetamide
CID 1284879
4-bromo-N-[(E)-[3-chloro-5-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126382945

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide (CID 28913373) is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)COc1c(Cl)cc(C=O)cc1OC.
What is the InChIKey of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is PXQSPVSRRCPAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-3-24-15-7-5-4-6-14(15)20-17(22)11-25-18-13(19)8-12(10-21)9-16(18)23-2/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide?
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 363.80 g/mol, XLogP of 3.58, 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 28913373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).