2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide

C17H20ClFN4O — CID 113045170

IUPAC2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
SMILESCCCN(CCC)c1ccc(NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C17H20ClFN4O/c1-3-10-23(11-4-2)15-9-8-14(21-22-15)20-17(24)16-12(18)6-5-7-13(16)19/h5-9H,3-4,10-11H2,1-2H3,(H,20,21,24)
InChIKeyZSJJDBNWWMIARF-UHFFFAOYSA-N
MW350.83 g/mol
LogP4.15
Rot. Bonds7

About 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide

2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide (PubChem CID 113045170) has the molecular formula C17H20ClFN4O and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
PubChem CID113045170
Molecular FormulaC17H20ClFN4O
Molecular Weight350.83 g/mol
Exact Mass350.13
IUPAC Name2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
SMILESCCCN(CCC)c1ccc(NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C17H20ClFN4O/c1-3-10-23(11-4-2)15-9-8-14(21-22-15)20-17(24)16-12(18)6-5-7-13(16)19/h5-9H,3-4,10-11H2,1-2H3,(H,20,21,24)
InChIKeyZSJJDBNWWMIARF-UHFFFAOYSA-N
XLogP4.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042862
2-(4-chlorophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
CID 113045158
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-[6-(dipropylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113045135
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049239
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113040581
N-[6-(dipropylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045130
N-[6-(dipropylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113045149
N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 82330961
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide
CID 113041914
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485
2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 51228899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide (CID 113045170) is 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide is CCCN(CCC)c1ccc(NC(=O)c2c(F)cccc2Cl)nn1.
What is the InChIKey of 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide?
The InChIKey is ZSJJDBNWWMIARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O/c1-3-10-23(11-4-2)15-9-8-14(21-22-15)20-17(24)16-12(18)6-5-7-13(16)19/h5-9H,3-4,10-11H2,1-2H3,(H,20,21,24).
What are the key properties of 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide?
2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide has a molecular weight of 350.83 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide is sourced from PubChem (CID 113045170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).