N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide

C17H17F2NO3 — CID 53281950

IUPACN-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO3/c1-3-16(23-13-7-5-12(22-2)6-8-13)17(21)20-15-9-4-11(18)10-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyKUWONYYKLGQTKG-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.77
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide

N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide (PubChem CID 53281950) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
PubChem CID53281950
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO3/c1-3-16(23-13-7-5-12(22-2)6-8-13)17(21)20-15-9-4-11(18)10-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyKUWONYYKLGQTKG-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9181885
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide
CID 9179669
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 9173271
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034271
N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide (CID 53281950) is N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide is CCC(Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide?
The InChIKey is KUWONYYKLGQTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-3-16(23-13-7-5-12(22-2)6-8-13)17(21)20-15-9-4-11(18)10-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide?
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide has a molecular weight of 321.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 53281950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).