N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide

C15H24FN3O2 — CID 107198108

IUPACN-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
SMILESCN(CCCCCO)CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O2/c1-19(8-3-2-4-10-20)9-7-15(21)18-14-11-12(17)5-6-13(14)16/h5-6,11,20H,2-4,7-10,17H2,1H3,(H,18,21)
InChIKeyGSXJHBAXYABIJR-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.83
Rot. Bonds9

About N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide

N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide (PubChem CID 107198108) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
PubChem CID107198108
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC NameN-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
SMILESCN(CCCCCO)CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O2/c1-19(8-3-2-4-10-20)9-7-15(21)18-14-11-12(17)5-6-13(14)16/h5-6,11,20H,2-4,7-10,17H2,1H3,(H,18,21)
InChIKeyGSXJHBAXYABIJR-UHFFFAOYSA-N
XLogP1.83
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107204141
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide (CID 107198108) is N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide is CN(CCCCCO)CCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
The InChIKey is GSXJHBAXYABIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-19(8-3-2-4-10-20)9-7-15(21)18-14-11-12(17)5-6-13(14)16/h5-6,11,20H,2-4,7-10,17H2,1H3,(H,18,21).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide has a molecular weight of 297.37 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide is sourced from PubChem (CID 107198108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).