N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide

C18H20FNO3 — CID 9011621

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccccc2F)c(C)c1
InChIInChI=1S/C18H20FNO3/c1-13-7-8-16(14(2)11-13)22-10-9-20-18(21)12-23-17-6-4-3-5-15(17)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeySTPHQNPKPGEZDC-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.02
Rot. Bonds7

About N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide

N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 9011621) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
PubChem CID9011621
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccccc2F)c(C)c1
InChIInChI=1S/C18H20FNO3/c1-13-7-8-16(14(2)11-13)22-10-9-20-18(21)12-23-17-6-4-3-5-15(17)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeySTPHQNPKPGEZDC-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.02
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

N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 2,4-difluorobenzoate
CID 9200279
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 39939589
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide (CID 9011621) is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide is Cc1ccc(OCCNC(=O)COc2ccccc2F)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is STPHQNPKPGEZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-13-7-8-16(14(2)11-13)22-10-9-20-18(21)12-23-17-6-4-3-5-15(17)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 317.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 9011621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).