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

C15H24FN3O — CID 43294452

IUPACN-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
SMILESCCCCCN(C)CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O/c1-3-4-5-9-19(2)10-8-15(20)18-14-11-12(17)6-7-13(14)16/h6-7,11H,3-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyKUIJCUIBLULZHF-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.86
Rot. Bonds8

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

N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide (PubChem CID 43294452) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
PubChem CID43294452
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC NameN-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
SMILESCCCCCN(C)CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O/c1-3-4-5-9-19(2)10-8-15(20)18-14-11-12(17)6-7-13(14)16/h6-7,11H,3-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyKUIJCUIBLULZHF-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198108
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
CID 103805299
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide (CID 43294452) is N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide is CCCCCN(C)CCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide?
The InChIKey is KUIJCUIBLULZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-3-4-5-9-19(2)10-8-15(20)18-14-11-12(17)6-7-13(14)16/h6-7,11H,3-5,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide?
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide has a molecular weight of 281.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide is sourced from PubChem (CID 43294452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).