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

C17H17F2NO3 — CID 9181885

IUPAC(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO3/c1-3-14(23-16-7-5-4-6-15(16)22-2)17(21)20-13-9-8-11(18)10-12(13)19/h4-10,14H,3H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyNGUWABAEJIFKMM-AWEZNQCLSA-N
MW321.32 g/mol
LogP3.77
Rot. Bonds6

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

(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide (PubChem CID 9181885) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide
PubChem CID9181885
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO3/c1-3-14(23-16-7-5-4-6-15(16)22-2)17(21)20-13-9-8-11(18)10-12(13)19/h4-10,14H,3H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyNGUWABAEJIFKMM-AWEZNQCLSA-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

N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 53286451
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173593
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034114
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide (CID 9181885) is (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide is CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide?
The InChIKey is NGUWABAEJIFKMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-3-14(23-16-7-5-4-6-15(16)22-2)17(21)20-13-9-8-11(18)10-12(13)19/h4-10,14H,3H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide?
(2S)-N-(2,4-difluorophenyl)-2-(2-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 (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 9181885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).