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

C17H17F2NO2 — CID 94013387

IUPAC(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-15-8-7-12(18)10-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyVYTZJSLWJWDGDD-INIZCTEOSA-N
MW305.32 g/mol
LogP4.07
Rot. Bonds5

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

(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide (PubChem CID 94013387) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is (2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
PubChem CID94013387
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-15-8-7-12(18)10-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyVYTZJSLWJWDGDD-INIZCTEOSA-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

(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737879
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9181885
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132656992
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 41177788
2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide (CID 94013387) is (2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide is CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide?
The InChIKey is VYTZJSLWJWDGDD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-15-8-7-12(18)10-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide?
(2S)-N-(2,4-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 (2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 94013387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).