3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide

C25H21FN4O — CID 46322463

IUPAC3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1
InChIInChI=1S/C25H21FN4O/c26-21-10-4-8-19(16-21)23-12-13-24(30-29-23)28-22-11-5-9-20(17-22)25(31)27-15-14-18-6-2-1-3-7-18/h1-13,16-17H,14-15H2,(H,27,31)(H,28,30)
InChIKeyZELKTQYLXXGYLP-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.00
Rot. Bonds7

About 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide

3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 46322463) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
PubChem CID46322463
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1
InChIInChI=1S/C25H21FN4O/c26-21-10-4-8-19(16-21)23-12-13-24(30-29-23)28-22-11-5-9-20(17-22)25(31)27-15-14-18-6-2-1-3-7-18/h1-13,16-17H,14-15H2,(H,27,31)(H,28,30)
InChIKeyZELKTQYLXXGYLP-UHFFFAOYSA-N
XLogP5.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
CID 167404187
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466
N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide
CID 164589633
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322454
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50778604
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
N-[2-(cyclohexen-1-yl)ethyl]-3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322394
N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 165128971
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835
N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide (CID 46322463) is 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1.
What is the InChIKey of 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is ZELKTQYLXXGYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c26-21-10-4-8-19(16-21)23-12-13-24(30-29-23)28-22-11-5-9-20(17-22)25(31)27-15-14-18-6-2-1-3-7-18/h1-13,16-17H,14-15H2,(H,27,31)(H,28,30).
What are the key properties of 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide?
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 412.47 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 46322463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).