2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide

C16H15F2NO3 — CID 35057390

IUPAC2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
SMILESO=C(COc1ccc(F)c(F)c1)NCCOc1ccccc1
InChIInChI=1S/C16H15F2NO3/c17-14-7-6-13(10-15(14)18)22-11-16(20)19-8-9-21-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyREXQBVXCKWHROP-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.54
Rot. Bonds7

About 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide

2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide (PubChem CID 35057390) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
PubChem CID35057390
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
SMILESO=C(COc1ccc(F)c(F)c1)NCCOc1ccccc1
InChIInChI=1S/C16H15F2NO3/c17-14-7-6-13(10-15(14)18)22-11-16(20)19-8-9-21-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyREXQBVXCKWHROP-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.54
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-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-[2-(3,4-difluorophenoxy)ethyl]pentanamide
CID 113102441
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
methyl 3-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 8806513
2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632756
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 26903383
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide (CID 35057390) is 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide is O=C(COc1ccc(F)c(F)c1)NCCOc1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide?
The InChIKey is REXQBVXCKWHROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c17-14-7-6-13(10-15(14)18)22-11-16(20)19-8-9-21-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20).
What are the key properties of 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide?
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide has a molecular weight of 307.30 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 35057390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).