2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide

C20H18FN3O2 — CID 21246249

IUPAC2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide
SMILESCCCOc1c/c(=N/C(=O)c2ccccc2F)cnn1-c1ccccc1
InChIInChI=1S/C20H18FN3O2/c1-2-12-26-19-13-15(14-22-24(19)16-8-4-3-5-9-16)23-20(25)17-10-6-7-11-18(17)21/h3-11,13-14H,2,12H2,1H3/b23-15-
InChIKeyVBXOHHPMXLAHOG-HAHDFKILSA-N
MW351.38 g/mol
LogP3.54
Rot. Bonds5

About 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide

2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide (PubChem CID 21246249) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide
PubChem CID21246249
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide
SMILESCCCOc1c/c(=N/C(=O)c2ccccc2F)cnn1-c1ccccc1
InChIInChI=1S/C20H18FN3O2/c1-2-12-26-19-13-15(14-22-24(19)16-8-4-3-5-9-16)23-20(25)17-10-6-7-11-18(17)21/h3-11,13-14H,2,12H2,1H3/b23-15-
InChIKeyVBXOHHPMXLAHOG-HAHDFKILSA-N
XLogP3.54
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide?
The IUPAC name of 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide (CID 21246249) is 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide?
The canonical SMILES for 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide is CCCOc1c/c(=N/C(=O)c2ccccc2F)cnn1-c1ccccc1.
What is the InChIKey of 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide?
The InChIKey is VBXOHHPMXLAHOG-HAHDFKILSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-2-12-26-19-13-15(14-22-24(19)16-8-4-3-5-9-16)23-20(25)17-10-6-7-11-18(17)21/h3-11,13-14H,2,12H2,1H3/b23-15-.
What are the key properties of 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide?
2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide has a molecular weight of 351.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide is sourced from PubChem (CID 21246249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).