2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide

C19H22FNO3 — CID 143215295

IUPAC2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
SMILESCOCCCC[C@](O)(c1cccc(F)c1)c1ccccc1C(N)=O
InChIInChI=1S/C19H22FNO3/c1-24-12-5-4-11-19(23,14-7-6-8-15(20)13-14)17-10-3-2-9-16(17)18(21)22/h2-3,6-10,13,23H,4-5,11-12H2,1H3,(H2,21,22)/t19-/m0/s1
InChIKeyFZUFDTZHTYUSBV-IBGZPJMESA-N
MW331.39 g/mol
LogP2.98
Rot. Bonds8

About 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide

2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide (PubChem CID 143215295) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide.

Molecular Properties

Compound Name2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
PubChem CID143215295
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
SMILESCOCCCC[C@](O)(c1cccc(F)c1)c1ccccc1C(N)=O
InChIInChI=1S/C19H22FNO3/c1-24-12-5-4-11-19(23,14-7-6-8-15(20)13-14)17-10-3-2-9-16(17)18(21)22/h2-3,6-10,13,23H,4-5,11-12H2,1H3,(H2,21,22)/t19-/m0/s1
InChIKeyFZUFDTZHTYUSBV-IBGZPJMESA-N
XLogP2.98
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide 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 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
The IUPAC name of 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide (CID 143215295) is 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide.
What is the SMILES notation for 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
The canonical SMILES for 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide is COCCCC[C@](O)(c1cccc(F)c1)c1ccccc1C(N)=O.
What is the InChIKey of 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
The InChIKey is FZUFDTZHTYUSBV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FNO3/c1-24-12-5-4-11-19(23,14-7-6-8-15(20)13-14)17-10-3-2-9-16(17)18(21)22/h2-3,6-10,13,23H,4-5,11-12H2,1H3,(H2,21,22)/t19-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide has a molecular weight of 331.39 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide is sourced from PubChem (CID 143215295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).