2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide

C17H17F2NO2 — CID 78790507

IUPAC2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H17F2NO2/c1-12(2)20(14-6-4-3-5-7-14)17(21)11-22-16-9-8-13(18)10-15(16)19/h3-10,12H,11H2,1-2H3
InChIKeyYUFZXHGHSYXFLN-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.79
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide

2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 78790507) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide
PubChem CID78790507
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H17F2NO2/c1-12(2)20(14-6-4-3-5-7-14)17(21)11-22-16-9-8-13(18)10-15(16)19/h3-10,12H,11H2,1-2H3
InChIKeyYUFZXHGHSYXFLN-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 110891996
2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 54857035
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 112788150
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 7701603
2-[2-oxo-2-(N-propan-2-ylanilino)ethoxy]-N-phenylbenzamide
CID 7919585
2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190401
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43259288
3-[[2-(2,4-difluorophenoxy)acetyl]-ethylamino]propanoic acid
CID 61007298
N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide
CID 120886664
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide (CID 78790507) is 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is YUFZXHGHSYXFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-12(2)20(14-6-4-3-5-7-14)17(21)11-22-16-9-8-13(18)10-15(16)19/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide?
2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 305.32 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 78790507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).