2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

C23H22ClNO4 — CID 17130812

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2OCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C23H22ClNO4/c1-17-15-19(11-12-20(17)24)29-16-23(26)25-21-9-5-6-10-22(21)28-14-13-27-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,25,26)
InChIKeyIURRSLNQVQUABS-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.12
Rot. Bonds9

About 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 17130812) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID17130812
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2OCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C23H22ClNO4/c1-17-15-19(11-12-20(17)24)29-16-23(26)25-21-9-5-6-10-22(21)28-14-13-27-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,25,26)
InChIKeyIURRSLNQVQUABS-UHFFFAOYSA-N
XLogP5.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 17134013
2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130878
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826760
ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
CID 17130997

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (CID 17130812) is 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccccc2OCCOc2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is IURRSLNQVQUABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-17-15-19(11-12-20(17)24)29-16-23(26)25-21-9-5-6-10-22(21)28-14-13-27-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,25,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17130812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).