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

C13H19FN2O2 — CID 107206606

IUPACN-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(CCCCCN)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-16(8-4-2-3-7-15)13(18)11-9-10(14)5-6-12(11)17/h5-6,9,17H,2-4,7-8,15H2,1H3
InChIKeyOFZOIOFSOHQQGV-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.73
Rot. Bonds6

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

N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide (PubChem CID 107206606) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
PubChem CID107206606
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC NameN-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(CCCCCN)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-16(8-4-2-3-7-15)13(18)11-9-10(14)5-6-12(11)17/h5-6,9,17H,2-4,7-8,15H2,1H3
InChIKeyOFZOIOFSOHQQGV-UHFFFAOYSA-N
XLogP1.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.73
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

5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
CID 107206627
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
CID 62686241
N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281484
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide (CID 107206606) is N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide is CN(CCCCCN)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The InChIKey is OFZOIOFSOHQQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-16(8-4-2-3-7-15)13(18)11-9-10(14)5-6-12(11)17/h5-6,9,17H,2-4,7-8,15H2,1H3.
What are the key properties of N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide has a molecular weight of 254.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107206606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).