5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide

C13H18FNO3 — CID 107200248

IUPAC5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H18FNO3/c1-15(7-3-2-4-8-16)13(18)11-9-10(14)5-6-12(11)17/h5-6,9,16-17H,2-4,7-8H2,1H3
InChIKeyDMOIMMYUMGDSNM-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.77
Rot. Bonds6

About 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide

5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide (PubChem CID 107200248) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
PubChem CID107200248
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H18FNO3/c1-15(7-3-2-4-8-16)13(18)11-9-10(14)5-6-12(11)17/h5-6,9,16-17H,2-4,7-8H2,1H3
InChIKeyDMOIMMYUMGDSNM-UHFFFAOYSA-N
XLogP1.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.77
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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Related Compounds

N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide (CID 107200248) is 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide is CN(CCCCCO)C(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide?
The InChIKey is DMOIMMYUMGDSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-15(7-3-2-4-8-16)13(18)11-9-10(14)5-6-12(11)17/h5-6,9,16-17H,2-4,7-8H2,1H3.
What are the key properties of 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide?
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide has a molecular weight of 255.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide is sourced from PubChem (CID 107200248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).