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

C15H24FN3O — CID 43295369

IUPACN-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O/c1-5-10(2)9-19(4)11(3)15(20)18-14-8-12(17)6-7-13(14)16/h6-8,10-11H,5,9,17H2,1-4H3,(H,18,20)
InChIKeyVMXPQJKRKCNDMJ-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.71
Rot. Bonds6

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

N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide (PubChem CID 43295369) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
PubChem CID43295369
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O/c1-5-10(2)9-19(4)11(3)15(20)18-14-8-12(17)6-7-13(14)16/h6-8,10-11H,5,9,17H2,1-4H3,(H,18,20)
InChIKeyVMXPQJKRKCNDMJ-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
CID 16778555
N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527250
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335489
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295357
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748890
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide (CID 43295369) is N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide is CCC(C)CN(C)C(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
The InChIKey is VMXPQJKRKCNDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-5-10(2)9-19(4)11(3)15(20)18-14-8-12(17)6-7-13(14)16/h6-8,10-11H,5,9,17H2,1-4H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide has a molecular weight of 281.37 g/mol, XLogP of 2.71, 6 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-[methyl(2-methylbutyl)amino]propanamide is sourced from PubChem (CID 43295369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).