N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide

C17H26FNO2 — CID 10709010

IUPACN-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H](CO)[C@@H](F)CCc1ccccc1
InChIInChI=1S/C17H26FNO2/c1-2-3-5-10-17(21)19-16(13-20)15(18)12-11-14-8-6-4-7-9-14/h4,6-9,15-16,20H,2-3,5,10-13H2,1H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyIRZJAASQRBQWQF-HOTGVXAUSA-N
MW295.40 g/mol
LogP3.01
Rot. Bonds10

About N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide

N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide (PubChem CID 10709010) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide
PubChem CID10709010
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H](CO)[C@@H](F)CCc1ccccc1
InChIInChI=1S/C17H26FNO2/c1-2-3-5-10-17(21)19-16(13-20)15(18)12-11-14-8-6-4-7-9-14/h4,6-9,15-16,20H,2-3,5,10-13H2,1H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyIRZJAASQRBQWQF-HOTGVXAUSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide?
The IUPAC name of N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide (CID 10709010) is N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide.
What is the SMILES notation for N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide?
The canonical SMILES for N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide is CCCCCC(=O)N[C@@H](CO)[C@@H](F)CCc1ccccc1.
What is the InChIKey of N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide?
The InChIKey is IRZJAASQRBQWQF-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-2-3-5-10-17(21)19-16(13-20)15(18)12-11-14-8-6-4-7-9-14/h4,6-9,15-16,20H,2-3,5,10-13H2,1H3,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide?
N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide has a molecular weight of 295.40 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-fluoro-1-hydroxy-5-phenylpentan-2-yl]hexanamide is sourced from PubChem (CID 10709010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).