3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine

C21H15F2N3 — CID 132967654

IUPAC3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine
SMILESFc1ccc(C2=Nc3ccccc3N=C(Nc3ccccc3)C2F)cc1
InChIInChI=1S/C21H15F2N3/c22-15-12-10-14(11-13-15)20-19(23)21(24-16-6-2-1-3-7-16)26-18-9-5-4-8-17(18)25-20/h1-13,19H,(H,24,26)
InChIKeyRGAUSXSDCIAALE-UHFFFAOYSA-N
MW347.37 g/mol
LogP5.44
Rot. Bonds2

About 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine

3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine (PubChem CID 132967654) has the molecular formula C21H15F2N3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine.

Molecular Properties

Compound Name3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine
PubChem CID132967654
Molecular FormulaC21H15F2N3
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine
SMILESFc1ccc(C2=Nc3ccccc3N=C(Nc3ccccc3)C2F)cc1
InChIInChI=1S/C21H15F2N3/c22-15-12-10-14(11-13-15)20-19(23)21(24-16-6-2-1-3-7-16)26-18-9-5-4-8-17(18)25-20/h1-13,19H,(H,24,26)
InChIKeyRGAUSXSDCIAALE-UHFFFAOYSA-N
XLogP5.44
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine 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-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine?
The IUPAC name of 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine (CID 132967654) is 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine.
What is the SMILES notation for 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine?
The canonical SMILES for 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine is Fc1ccc(C2=Nc3ccccc3N=C(Nc3ccccc3)C2F)cc1.
What is the InChIKey of 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine?
The InChIKey is RGAUSXSDCIAALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3/c22-15-12-10-14(11-13-15)20-19(23)21(24-16-6-2-1-3-7-16)26-18-9-5-4-8-17(18)25-20/h1-13,19H,(H,24,26).
What are the key properties of 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine?
3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine has a molecular weight of 347.37 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine is sourced from PubChem (CID 132967654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).