N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide

C17H24FNO3 — CID 10518946

IUPACN-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C1=CC=C(C=C1)F)O
InChIInChI=1S/C17H24FNO3/c1-2-3-4-5-17(22)19-15(12-20)16(21)11-8-13-6-9-14(18)10-7-13/h6-11,15-16,20-21H,2-5,12H2,1H3,(H,19,22)/b11-8+/t15-,16+/m0/s1
InChIKeyTXXPRKZRLBTMMB-UGTRGGQESA-N
MW309.40 g/mol
LogP2.40
Rot. Bonds9

About N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide

N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide (PubChem CID 10518946) has the molecular formula C17H24FNO3 and a molecular weight of 309.40 g/mol. Its IUPAC name is N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide.

Molecular Properties

Compound NameN-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide
PubChem CID10518946
Molecular FormulaC17H24FNO3
Molecular Weight309.40 g/mol
Exact Mass309.17
IUPAC NameN-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C1=CC=C(C=C1)F)O
InChIInChI=1S/C17H24FNO3/c1-2-3-4-5-17(22)19-15(12-20)16(21)11-8-13-6-9-14(18)10-7-13/h6-11,15-16,20-21H,2-5,12H2,1H3,(H,19,22)/b11-8+/t15-,16+/m0/s1
InChIKeyTXXPRKZRLBTMMB-UGTRGGQESA-N
XLogP2.40
TPSA69.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity341

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide?
The IUPAC name of N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide (CID 10518946) is N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide.
What is the SMILES notation for N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide?
The canonical SMILES for N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide is CCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C1=CC=C(C=C1)F)O.
What is the InChIKey of N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide?
The InChIKey is TXXPRKZRLBTMMB-UGTRGGQESA-N. The full InChI is InChI=1S/C17H24FNO3/c1-2-3-4-5-17(22)19-15(12-20)16(21)11-8-13-6-9-14(18)10-7-13/h6-11,15-16,20-21H,2-5,12H2,1H3,(H,19,22)/b11-8+/t15-,16+/m0/s1.
What are the key properties of N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide?
N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide has a molecular weight of 309.40 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide is sourced from PubChem (CID 10518946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).