5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one

C18H15ClFN3O2 — CID 133477281

IUPAC5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCc2ccc(OCc3ccccc3F)cc2)c1Cl
InChIInChI=1S/C18H15ClFN3O2/c19-17-16(10-22-23-18(17)24)21-9-12-5-7-14(8-6-12)25-11-13-3-1-2-4-15(13)20/h1-8,10H,9,11H2,(H2,21,23,24)
InChIKeyCABCUFKYXSAWOV-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.75
Rot. Bonds6

About 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one (PubChem CID 133477281) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one
PubChem CID133477281
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCc2ccc(OCc3ccccc3F)cc2)c1Cl
InChIInChI=1S/C18H15ClFN3O2/c19-17-16(10-22-23-18(17)24)21-9-12-5-7-14(8-6-12)25-11-13-3-1-2-4-15(13)20/h1-8,10H,9,11H2,(H2,21,23,24)
InChIKeyCABCUFKYXSAWOV-UHFFFAOYSA-N
XLogP3.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromophenyl)methylamino]-5-chloro-1H-pyridazin-6-one
CID 78948051
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one
CID 137266124
5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
CID 46682264
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide
CID 133477282
5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338812
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
5-chloro-4-[(2Z)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538095
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662
6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridazine-3-carboxamide
CID 133477298

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one (CID 133477281) is 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one is O=c1[nH]ncc(NCc2ccc(OCc3ccccc3F)cc2)c1Cl.
What is the InChIKey of 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one?
The InChIKey is CABCUFKYXSAWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-17-16(10-22-23-18(17)24)21-9-12-5-7-14(8-6-12)25-11-13-3-1-2-4-15(13)20/h1-8,10H,9,11H2,(H2,21,23,24).
What are the key properties of 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one has a molecular weight of 359.79 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 133477281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).