(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide

C16H15F2NO2 — CID 7369079

IUPAC(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H15F2NO2/c1-2-15(21-14-6-4-3-5-7-14)16(20)19-13-9-11(17)8-12(18)10-13/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyYDRDHDUBPLBYQT-HNNXBMFYSA-N
MW291.30 g/mol
LogP3.76
Rot. Bonds5

About (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide

(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide (PubChem CID 7369079) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
PubChem CID7369079
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H15F2NO2/c1-2-15(21-14-6-4-3-5-7-14)16(20)19-13-9-11(17)8-12(18)10-13/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyYDRDHDUBPLBYQT-HNNXBMFYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
CID 966418
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
[3-(2-phenoxybutanoylamino)phenyl] acetate
CID 17341786
N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
CID 2932623

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide?
The IUPAC name of (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide (CID 7369079) is (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide is CC[C@H](Oc1ccccc1)C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide?
The InChIKey is YDRDHDUBPLBYQT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-2-15(21-14-6-4-3-5-7-14)16(20)19-13-9-11(17)8-12(18)10-13/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide?
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide has a molecular weight of 291.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide is sourced from PubChem (CID 7369079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).