N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

C22H20FN3O2 — CID 46386967

IUPACN-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C22H20FN3O2/c23-17-9-11-19(12-10-17)28-21-14-13-20(25-26-21)15-5-7-16(8-6-15)22(27)24-18-3-1-2-4-18/h5-14,18H,1-4H2,(H,24,27)
InChIKeyNIITWIKCNDVHJU-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.75
Rot. Bonds5

About N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide (PubChem CID 46386967) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide
PubChem CID46386967
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C22H20FN3O2/c23-17-9-11-19(12-10-17)28-21-14-13-20(25-26-21)15-5-7-16(8-6-15)22(27)24-18-3-1-2-4-18/h5-14,18H,1-4H2,(H,24,27)
InChIKeyNIITWIKCNDVHJU-UHFFFAOYSA-N
XLogP4.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53119894
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
CID 92882462
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387034
N-cyclohexyl-3-(6-methylpyridazin-3-yl)oxybenzamide
CID 70703754
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide (CID 46386967) is N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide is O=C(NC1CCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide?
The InChIKey is NIITWIKCNDVHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-17-9-11-19(12-10-17)28-21-14-13-20(25-26-21)15-5-7-16(8-6-15)22(27)24-18-3-1-2-4-18/h5-14,18H,1-4H2,(H,24,27).
What are the key properties of N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide?
N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide has a molecular weight of 377.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide is sourced from PubChem (CID 46386967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).