N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide

C17H17F2NO2 — CID 43905460

IUPACN-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-12-7-8-14(18)15(19)10-12/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyFCQANTONIHISGR-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.07
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide

N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide (PubChem CID 43905460) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
PubChem CID43905460
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC NameN-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-12-7-8-14(18)15(19)10-12/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyFCQANTONIHISGR-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 53288917
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
(2S)-N-(4-bromo-3-chlorophenyl)-2-(3-methylphenoxy)butanamide
CID 99950247
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide (CID 43905460) is N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide?
The InChIKey is FCQANTONIHISGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-12-7-8-14(18)15(19)10-12/h4-10,16H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide?
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide has a molecular weight of 305.32 g/mol, XLogP of 4.07, 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-methylphenoxy)butanamide is sourced from PubChem (CID 43905460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).