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

C19H22FNO3 — CID 140609116

IUPAC2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
SMILESCOCCCCC(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)
InChIKeyFZUFDTZHTYUSBV-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.98
Rot. Bonds8

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

2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide (PubChem CID 140609116) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
PubChem CID140609116
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
SMILESCOCCCCC(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)
InChIKeyFZUFDTZHTYUSBV-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
The IUPAC name of 2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide (CID 140609116) is 2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide is COCCCCC(O)(c1cccc(F)c1)c1ccccc1C(N)=O.
What is the InChIKey of 2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
The InChIKey is FZUFDTZHTYUSBV-UHFFFAOYSA-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).
What are the key properties of 2-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
2-[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-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide is sourced from PubChem (CID 140609116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).