5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

C21H19FN4O2 — CID 155532115

IUPAC5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CC(F)C2)ccc1OCc1ccccc1
InChIInChI=1S/C21H19FN4O2/c22-16-12-26(13-16)18-6-7-20(28-14-15-4-2-1-3-5-15)19(10-18)21(27)25-17-8-9-23-24-11-17/h1-11,16H,12-14H2,(H,23,25,27)
InChIKeyWCNFDVUNFVSMEB-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.47
Rot. Bonds6

About 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155532115) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155532115
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CC(F)C2)ccc1OCc1ccccc1
InChIInChI=1S/C21H19FN4O2/c22-16-12-26(13-16)18-6-7-20(28-14-15-4-2-1-3-5-15)19(10-18)21(27)25-17-8-9-23-24-11-17/h1-11,16H,12-14H2,(H,23,25,27)
InChIKeyWCNFDVUNFVSMEB-UHFFFAOYSA-N
XLogP3.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-4-trifluoromethyl-benzamide
CID 11503810
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
Benzamide, 3-methoxy-N-[3-(1-methyl-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-
CID 11604525
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-methoxybenzamide
CID 11698617
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076
N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
CID 46833077
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155532115) is 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cc(N2CC(F)C2)ccc1OCc1ccccc1.
What is the InChIKey of 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is WCNFDVUNFVSMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-16-12-26(13-16)18-6-7-20(28-14-15-4-2-1-3-5-15)19(10-18)21(27)25-17-8-9-23-24-11-17/h1-11,16H,12-14H2,(H,23,25,27).
What are the key properties of 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 378.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155532115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).