4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide

C14H12ClF3N4O — CID 133433473

IUPAC4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(C(F)(F)F)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF3N4O/c15-10-3-1-9(2-4-10)13(23)20-8-7-19-12-6-5-11(21-22-12)14(16,17)18/h1-6H,7-8H2,(H,19,22)(H,20,23)
InChIKeyJXCSJTGYDVJGQW-UHFFFAOYSA-N
MW344.72 g/mol
LogP2.99
Rot. Bonds5

About 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide

4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 133433473) has the molecular formula C14H12ClF3N4O and a molecular weight of 344.72 g/mol. Its IUPAC name is 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID133433473
Molecular FormulaC14H12ClF3N4O
Molecular Weight344.72 g/mol
Exact Mass344.07
IUPAC Name4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(C(F)(F)F)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF3N4O/c15-10-3-1-9(2-4-10)13(23)20-8-7-19-12-6-5-11(21-22-12)14(16,17)18/h1-6H,7-8H2,(H,19,22)(H,20,23)
InChIKeyJXCSJTGYDVJGQW-UHFFFAOYSA-N
XLogP2.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide 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

6-[4-(5-CHLORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11271611
6-[4-(2-CHLORO-5-FLUOROBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11453250
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (4-CHLOROPHENYL)AMIDE
CID 16035003
3-chloro-N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)benzamide
CID 7422421
3-chloro-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}benzamide
CID 91904813
N-[1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 145954486
(4-Chlorophenyl)(4-(6-methylpyridazin-3-yl)piperazin-1-yl)methanone
CID 46912172
1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3-fluorobenzoyl)piperazine
CID 75527275
1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3,4-difluorobenzoyl)piperazine
CID 75527298
1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(2,4-difluorobenzoyl)piperazine
CID 75527312
1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3-fluoro-4-methylbenzoyl)piperazine
CID 75527318
1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(2,5-difluorobenzoyl)piperazine
CID 75527321

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide (CID 133433473) is 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide is O=C(NCCNc1ccc(C(F)(F)F)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is JXCSJTGYDVJGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O/c15-10-3-1-9(2-4-10)13(23)20-8-7-19-12-6-5-11(21-22-12)14(16,17)18/h1-6H,7-8H2,(H,19,22)(H,20,23).
What are the key properties of 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide?
4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 344.72 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 133433473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).