N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline

C12H10ClFN4O2 — CID 80906773

IUPACN-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2cc(Cl)ccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C12H10ClFN4O2/c13-7-4-5-8(14)11(6-7)16-9-2-1-3-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2
InChIKeyHEVBWHJGKRRRDG-UHFFFAOYSA-N
MW296.69 g/mol
LogP3.42
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline

N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline (PubChem CID 80906773) has the molecular formula C12H10ClFN4O2 and a molecular weight of 296.69 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
PubChem CID80906773
Molecular FormulaC12H10ClFN4O2
Molecular Weight296.69 g/mol
Exact Mass296.05
IUPAC NameN-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2cc(Cl)ccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C12H10ClFN4O2/c13-7-4-5-8(14)11(6-7)16-9-2-1-3-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2
InChIKeyHEVBWHJGKRRRDG-UHFFFAOYSA-N
XLogP3.42
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline 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 N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline (CID 80906773) is N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline is NNc1cccc(Nc2cc(Cl)ccc2F)c1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
The InChIKey is HEVBWHJGKRRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4O2/c13-7-4-5-8(14)11(6-7)16-9-2-1-3-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2.
What are the key properties of N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline has a molecular weight of 296.69 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 80906773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).