N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide

C15H24FN3O — CID 16779657

IUPACN-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
SMILESCCCN(CCC)CCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H24FN3O/c1-3-8-19(9-4-2)10-7-15(20)18-12-5-6-13(16)14(17)11-12/h5-6,11H,3-4,7-10,17H2,1-2H3,(H,18,20)
InChIKeyRZNDYBONMHHMCQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.86
Rot. Bonds8

About N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide

N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide (PubChem CID 16779657) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
PubChem CID16779657
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
SMILESCCCN(CCC)CCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H24FN3O/c1-3-8-19(9-4-2)10-7-15(20)18-12-5-6-13(16)14(17)11-12/h5-6,11H,3-4,7-10,17H2,1-2H3,(H,18,20)
InChIKeyRZNDYBONMHHMCQ-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 ≤ 500281.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-fluorophenyl)-3-(dipropylamino)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-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(3-amino-4-fluorophenyl)-3-[bis(cyanomethyl)amino]propanamide
CID 18071045
N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955514
N-(3-amino-4-fluorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61243362
N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982408
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879526
N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695284

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide (CID 16779657) is N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide is CCCN(CCC)CCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide?
The InChIKey is RZNDYBONMHHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-3-8-19(9-4-2)10-7-15(20)18-12-5-6-13(16)14(17)11-12/h5-6,11H,3-4,7-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide?
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide has a molecular weight of 281.38 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-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide is sourced from PubChem (CID 16779657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).