2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine

C15H14FN5O — CID 168601860

IUPAC2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H14FN5O/c16-10-6-7-12(20-15(19)21-14(17)18)11(8-10)13(22)9-4-2-1-3-5-9/h1-8H,(H6,17,18,19,20,21)
InChIKeyQKJBUDYUBJSMPT-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.28
Rot. Bonds3

About 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine

2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine (PubChem CID 168601860) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine
PubChem CID168601860
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H14FN5O/c16-10-6-7-12(20-15(19)21-14(17)18)11(8-10)13(22)9-4-2-1-3-5-9/h1-8H,(H6,17,18,19,20,21)
InChIKeyQKJBUDYUBJSMPT-UHFFFAOYSA-N
XLogP1.28
TPSA119.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine 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 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine (CID 168601860) is 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/c1ccc(F)cc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine?
The InChIKey is QKJBUDYUBJSMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-10-6-7-12(20-15(19)21-14(17)18)11(8-10)13(22)9-4-2-1-3-5-9/h1-8H,(H6,17,18,19,20,21).
What are the key properties of 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine?
2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine has a molecular weight of 299.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 168601860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).