3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide

C19H16ClFN4O — CID 113042523

IUPAC3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccccc2F)nn1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClFN4O/c20-15-6-3-5-14(12-15)19(26)23-18-9-8-17(24-25-18)22-11-10-13-4-1-2-7-16(13)21/h1-9,12H,10-11H2,(H,22,24)(H,23,25,26)
InChIKeyNQSXANMCIMRBOF-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.18
Rot. Bonds6

About 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide

3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide (PubChem CID 113042523) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
PubChem CID113042523
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccccc2F)nn1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClFN4O/c20-15-6-3-5-14(12-15)19(26)23-18-9-8-17(24-25-18)22-11-10-13-4-1-2-7-16(13)21/h1-9,12H,10-11H2,(H,22,24)(H,23,25,26)
InChIKeyNQSXANMCIMRBOF-UHFFFAOYSA-N
XLogP4.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041381
3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042530
3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055404
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041356
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113042536
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide (CID 113042523) is 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCCc2ccccc2F)nn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide?
The InChIKey is NQSXANMCIMRBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-15-6-3-5-14(12-15)19(26)23-18-9-8-17(24-25-18)22-11-10-13-4-1-2-7-16(13)21/h1-9,12H,10-11H2,(H,22,24)(H,23,25,26).
What are the key properties of 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide?
3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide has a molecular weight of 370.82 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113042523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).