2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide

C17H16ClNO4 — CID 2986839

IUPAC2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide
SMILESCCOc1cc(C=O)c(Cl)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H16ClNO4/c1-2-22-15-8-12(10-20)14(18)9-16(15)23-11-17(21)19-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyPYZWKMRBCYNBDS-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.57
Rot. Bonds7

About 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide

2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide (PubChem CID 2986839) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide
PubChem CID2986839
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide
SMILESCCOc1cc(C=O)c(Cl)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H16ClNO4/c1-2-22-15-8-12(10-20)14(18)9-16(15)23-11-17(21)19-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyPYZWKMRBCYNBDS-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'}

Analyze 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[5-bromo-2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19617616
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2,4-dichloro-3-methylphenoxy)-N-phenylacetamide
CID 15917895
2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 126047053
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 4770105
2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide
CID 168586167
2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid
CID 19575264

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide?
The IUPAC name of 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide (CID 2986839) is 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide.
What is the SMILES notation for 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide?
The canonical SMILES for 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide is CCOc1cc(C=O)c(Cl)cc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide?
The InChIKey is PYZWKMRBCYNBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-2-22-15-8-12(10-20)14(18)9-16(15)23-11-17(21)19-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide?
2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide 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 2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 2986839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).