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

C19H22FNO3 — CID 172796049

IUPACN-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
SMILESCOCCCCC(O)(NC(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H22FNO3/c1-24-13-6-5-12-19(23,16-10-7-11-17(20)14-16)21-18(22)15-8-3-2-4-9-15/h2-4,7-11,14,23H,5-6,12-13H2,1H3,(H,21,22)
InChIKeyQFFKJTDYCZNIFT-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.22
Rot. Bonds8

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

N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide (PubChem CID 172796049) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
PubChem CID172796049
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
SMILESCOCCCCC(O)(NC(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H22FNO3/c1-24-13-6-5-12-19(23,16-10-7-11-17(20)14-16)21-18(22)15-8-3-2-4-9-15/h2-4,7-11,14,23H,5-6,12-13H2,1H3,(H,21,22)
InChIKeyQFFKJTDYCZNIFT-UHFFFAOYSA-N
XLogP3.22
TPSA58.56 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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-(4-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
CID 69468214
N-[(1R)-1-(4-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
CID 69468216
N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide
CID 69471861
2-[1-(4-Fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
CID 77657581
N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-2,5-dien-1-yl]benzamide
CID 118690966
N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide
CID 118690967
2-[1-(3-Fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
CID 140609116
4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide
CID 141366485
2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide
CID 143215295
N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide
CID 143402507
5-hydroxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one
CID 13046806
Benzenemethanol, alpha-(1-methyl-1-(oxido(phenylmethylene)amino)ethyl)-
CID 155286

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
The IUPAC name of N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide (CID 172796049) is N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide is COCCCCC(O)(NC(=O)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
The InChIKey is QFFKJTDYCZNIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-24-13-6-5-12-19(23,16-10-7-11-17(20)14-16)21-18(22)15-8-3-2-4-9-15/h2-4,7-11,14,23H,5-6,12-13H2,1H3,(H,21,22).
What are the key properties of N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide?
N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide has a molecular weight of 331.39 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]benzamide is sourced from PubChem (CID 172796049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).