N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide

C15H24FN3O2 — CID 107198146

IUPACN-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
SMILESCN(CCCCCO)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H24FN3O2/c1-19(8-3-2-4-10-20)9-7-15(21)18-14-6-5-12(16)11-13(14)17/h5-6,11,20H,2-4,7-10,17H2,1H3,(H,18,21)
InChIKeyDDYLLCBFYXJILR-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.83
Rot. Bonds9

About N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide

N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide (PubChem CID 107198146) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
PubChem CID107198146
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC NameN-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
SMILESCN(CCCCCO)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H24FN3O2/c1-19(8-3-2-4-10-20)9-7-15(21)18-14-6-5-12(16)11-13(14)17/h5-6,11,20H,2-4,7-10,17H2,1H3,(H,18,21)
InChIKeyDDYLLCBFYXJILR-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-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198108
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
N-(2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107204141
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide (CID 107198146) is N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide is CN(CCCCCO)CCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
The InChIKey is DDYLLCBFYXJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-19(8-3-2-4-10-20)9-7-15(21)18-14-6-5-12(16)11-13(14)17/h5-6,11,20H,2-4,7-10,17H2,1H3,(H,18,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
N-(2-amino-4-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-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide is sourced from PubChem (CID 107198146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).