N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide

C15H12F3NO3 — CID 2709478

IUPACN-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F3NO3/c16-10-2-1-3-13(8-10)21-9-14(20)19-11-4-6-12(7-5-11)22-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyNIHXPWSXYBQBTG-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.44
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 2709478) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
PubChem CID2709478
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F3NO3/c16-10-2-1-3-13(8-10)21-9-14(20)19-11-4-6-12(7-5-11)22-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyNIHXPWSXYBQBTG-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7858810
N-[4-(difluoromethoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 2323436
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
N-[4-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)acetamide
CID 9098936
N-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713910
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 2388045
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide (CID 2709478) is N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide is O=C(COc1cccc(F)c1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is NIHXPWSXYBQBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c16-10-2-1-3-13(8-10)21-9-14(20)19-11-4-6-12(7-5-11)22-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 311.26 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 2709478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).