3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten

C18H24FN2W- — CID 170631465

IUPAC3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten
SMILESCCCc1cccc(N)c1.[NH-]CCCc1ccc(F)cc1.[W]
InChIInChI=1S/C9H11FN.C9H13N.W/c10-9-5-3-8(4-6-9)2-1-7-11;1-2-4-8-5-3-6-9(10)7-8;/h3-6,11H,1-2,7H2;3,5-7H,2,4,10H2,1H3;/q-1;;
InChIKeyRUDAUPXNUAEOEG-UHFFFAOYSA-N
MW471.24 g/mol
LogP5.03
Rot. Bonds5

About 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten

3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten (PubChem CID 170631465) has the molecular formula C18H24FN2W- and a molecular weight of 471.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten.

Molecular Properties

Compound Name3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten
PubChem CID170631465
Molecular FormulaC18H24FN2W-
Molecular Weight471.24 g/mol
Exact Mass471.14
IUPAC Name3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten
SMILESCCCc1cccc(N)c1.[NH-]CCCc1ccc(F)cc1.[W]
InChIInChI=1S/C9H11FN.C9H13N.W/c10-9-5-3-8(4-6-9)2-1-7-11;1-2-4-8-5-3-6-9(10)7-8;/h3-6,11H,1-2,7H2;3,5-7H,2,4,10H2,1H3;/q-1;;
InChIKeyRUDAUPXNUAEOEG-UHFFFAOYSA-N
XLogP5.03
TPSA49.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.24
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten?
The IUPAC name of 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten (CID 170631465) is 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten.
What is the SMILES notation for 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten?
The canonical SMILES for 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten is CCCc1cccc(N)c1.[NH-]CCCc1ccc(F)cc1.[W].
What is the InChIKey of 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten?
The InChIKey is RUDAUPXNUAEOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN.C9H13N.W/c10-9-5-3-8(4-6-9)2-1-7-11;1-2-4-8-5-3-6-9(10)7-8;/h3-6,11H,1-2,7H2;3,5-7H,2,4,10H2,1H3;/q-1;;.
What are the key properties of 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten?
3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten has a molecular weight of 471.24 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten is sourced from PubChem (CID 170631465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).