N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide

C15H24FN3O — CID 16778555

IUPACN-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
SMILESCCCN(CCC)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O/c1-4-8-19(9-5-2)11(3)15(20)18-14-10-12(17)6-7-13(14)16/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyLABLAXYBDZAWJC-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.86
Rot. Bonds7

About N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide

N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide (PubChem CID 16778555) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
PubChem CID16778555
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
SMILESCCCN(CCC)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O/c1-4-8-19(9-5-2)11(3)15(20)18-14-10-12(17)6-7-13(14)16/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyLABLAXYBDZAWJC-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295369
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
N-(5-amino-2-methoxyphenyl)-2-[ethyl(propyl)amino]propanamide
CID 43268403
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
CID 43615880
N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527250
N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
CID 61286626

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide (CID 16778555) is N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide is CCCN(CCC)C(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide?
The InChIKey is LABLAXYBDZAWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-8-19(9-5-2)11(3)15(20)18-14-10-12(17)6-7-13(14)16/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide?
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide has a molecular weight of 281.37 g/mol, XLogP of 2.86, 7 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)-2-(dipropylamino)propanamide is sourced from PubChem (CID 16778555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).