2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide

C17H18ClNO3 — CID 26903383

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-13-11-14(18)7-8-16(13)22-12-17(20)19-9-10-21-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyQYXVLLGDGRMDFT-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.22
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide (PubChem CID 26903383) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
PubChem CID26903383
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-13-11-14(18)7-8-16(13)22-12-17(20)19-9-10-21-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyQYXVLLGDGRMDFT-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174022
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409
2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101233
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 113236436
N-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953177

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide (CID 26903383) is 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide is Cc1cc(Cl)ccc1OCC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide?
The InChIKey is QYXVLLGDGRMDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-13-11-14(18)7-8-16(13)22-12-17(20)19-9-10-21-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 26903383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).