N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide

C17H17ClFN5O2 — CID 113040581

IUPACN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3c(F)cccc3Cl)nn2)CC1
InChIInChI=1S/C17H17ClFN5O2/c1-11(25)23-7-9-24(10-8-23)15-6-5-14(21-22-15)20-17(26)16-12(18)3-2-4-13(16)19/h2-6H,7-10H2,1H3,(H,20,21,26)
InChIKeyVDBACBQEEACGER-UHFFFAOYSA-N
MW377.81 g/mol
LogP2.19
Rot. Bonds3

About N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide

N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide (PubChem CID 113040581) has the molecular formula C17H17ClFN5O2 and a molecular weight of 377.81 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
PubChem CID113040581
Molecular FormulaC17H17ClFN5O2
Molecular Weight377.81 g/mol
Exact Mass377.11
IUPAC NameN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3c(F)cccc3Cl)nn2)CC1
InChIInChI=1S/C17H17ClFN5O2/c1-11(25)23-7-9-24(10-8-23)15-6-5-14(21-22-15)20-17(26)16-12(18)3-2-4-13(16)19/h2-6H,7-10H2,1H3,(H,20,21,26)
InChIKeyVDBACBQEEACGER-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide 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

N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide
CID 113040560
(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919528
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]furan-2-carboxamide
CID 113040547
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049239
(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350588
6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide
CID 109117200
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
2-(2-chloro-6-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122350887
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113040589
2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
CID 113045170

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide (CID 113040581) is N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide is CC(=O)N1CCN(c2ccc(NC(=O)c3c(F)cccc3Cl)nn2)CC1.
What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide?
The InChIKey is VDBACBQEEACGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O2/c1-11(25)23-7-9-24(10-8-23)15-6-5-14(21-22-15)20-17(26)16-12(18)3-2-4-13(16)19/h2-6H,7-10H2,1H3,(H,20,21,26).
What are the key properties of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide?
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide has a molecular weight of 377.81 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 113040581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).