(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide

C17H18FNO2 — CID 92686201

IUPAC(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-3-15(21-16-10-5-4-7-12(16)2)17(20)19-14-9-6-8-13(18)11-14/h4-11,15H,3H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyTXTFXBRCNPQASM-HNNXBMFYSA-N
MW287.33 g/mol
LogP3.93
Rot. Bonds5

About (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide

(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide (PubChem CID 92686201) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
PubChem CID92686201
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-3-15(21-16-10-5-4-7-12(16)2)17(20)19-14-9-6-8-13(18)11-14/h4-11,15H,3H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyTXTFXBRCNPQASM-HNNXBMFYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-naphthalen-1-yloxybutanamide
CID 46770418
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775
N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877925
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide
CID 46771486
N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
CID 46735826
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide
CID 43886287
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide (CID 92686201) is (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide is CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(F)c1.
What is the InChIKey of (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is TXTFXBRCNPQASM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-15(21-16-10-5-4-7-12(16)2)17(20)19-14-9-6-8-13(18)11-14/h4-11,15H,3H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide?
(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 287.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 92686201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).