N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide

C18H19F2NO2 — CID 53288917

IUPACN-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO2/c1-4-17(23-14-8-11(2)7-12(3)9-14)18(22)21-13-5-6-15(19)16(20)10-13/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeySULYDXSKAQRTJJ-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.38
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide

N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide (PubChem CID 53288917) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
PubChem CID53288917
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC NameN-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO2/c1-4-17(23-14-8-11(2)7-12(3)9-14)18(22)21-13-5-6-15(19)16(20)10-13/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeySULYDXSKAQRTJJ-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034445
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
methyl 4-[2-(3,5-dimethylphenoxy)butanoylamino]benzoate
CID 17034486
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
N-(2,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034427
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132656992
N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034426
N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132655055
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide (CID 53288917) is N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
The InChIKey is SULYDXSKAQRTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-4-17(23-14-8-11(2)7-12(3)9-14)18(22)21-13-5-6-15(19)16(20)10-13/h5-10,17H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide has a molecular weight of 319.35 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 53288917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).