N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide

C17H16ClNO4 — CID 1156887

IUPACN-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO4/c1-2-22-16-9-12(10-20)3-8-15(16)23-11-17(21)19-14-6-4-13(18)5-7-14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyIOEQAQQPDFEJNP-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.57
Rot. Bonds7

About N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide

N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide (PubChem CID 1156887) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
PubChem CID1156887
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC NameN-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO4/c1-2-22-16-9-12(10-20)3-8-15(16)23-11-17(21)19-14-6-4-13(18)5-7-14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyIOEQAQQPDFEJNP-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 4770105
2-(2-chloro-4-formylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7341227
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 18827652
N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1249428
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 2994045
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 6457252
N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126327226
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide (CID 1156887) is N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide is CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
The InChIKey is IOEQAQQPDFEJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-2-22-16-9-12(10-20)3-8-15(16)23-11-17(21)19-14-6-4-13(18)5-7-14/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide?
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide has a molecular weight of 333.77 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide is sourced from PubChem (CID 1156887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).