(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide

C16H16FNO2 — CID 966418

IUPAC(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-2-15(20-12-8-4-3-5-9-12)16(19)18-14-11-7-6-10-13(14)17/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyIHKQPKSQSNMSGZ-HNNXBMFYSA-N
MW273.31 g/mol
LogP3.62
Rot. Bonds5

About (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide

(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide (PubChem CID 966418) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
PubChem CID966418
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-2-15(20-12-8-4-3-5-9-12)16(19)18-14-11-7-6-10-13(14)17/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyIHKQPKSQSNMSGZ-HNNXBMFYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133162052
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 42922033
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide?
The IUPAC name of (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide (CID 966418) is (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide is CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide?
The InChIKey is IHKQPKSQSNMSGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-15(20-12-8-4-3-5-9-12)16(19)18-14-11-7-6-10-13(14)17/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide?
(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide has a molecular weight of 273.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluorophenyl)-2-phenoxybutanamide is sourced from PubChem (CID 966418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).