4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one

C19H17ClFN3O2 — CID 71897014

IUPAC4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2ccc(OCc3cccc(F)c3)cc2)c(Cl)c1=O
InChIInChI=1S/C19H17ClFN3O2/c1-24-19(25)18(20)17(11-23-24)22-10-13-5-7-16(8-6-13)26-12-14-3-2-4-15(21)9-14/h2-9,11,22H,10,12H2,1H3
InChIKeyJOTFAZSOTGGWGX-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.76
Rot. Bonds6

About 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one

4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one (PubChem CID 71897014) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one
PubChem CID71897014
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2ccc(OCc3cccc(F)c3)cc2)c(Cl)c1=O
InChIInChI=1S/C19H17ClFN3O2/c1-24-19(25)18(20)17(11-23-24)22-10-13-5-7-16(8-6-13)26-12-14-3-2-4-15(21)9-14/h2-9,11,22H,10,12H2,1H3
InChIKeyJOTFAZSOTGGWGX-UHFFFAOYSA-N
XLogP3.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3(2H)-Pyridazinone, 4-chloro-2-cyclopentyl-5-(((3-methoxyphenyl)methyl)amino)-
CID 3065183
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 16356389
(Z)-2-benzyl-4-chloro-5-(2-(2-ethoxybenzylidene)hydrazinyl)pyridazin-3(2H)-one
CID 16448838
4-Chloro-5-[(3-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 45868564
3(2H)-Pyridazinone, 4-chloro-5-(((4-methoxy-3-propoxyphenyl)methyl)amino)-2-methyl-
CID 3065184
4-(3-(4-ethoxyphenyl)-6-oxopyridazin-1(6H)-yl)-N-(4-fluorobenzyl)butanamide
CID 16885563
4-Chloro-5-[(4-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 45806305
4-Chloro-5-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpyridazin-3-one
CID 71940017
4-Chloro-2-methyl-5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridazin-3-one
CID 71940045
4-Chloro-2-[[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methyl]-5-[2-(2-methoxyphenoxy)ethylamino]pyridazin-3-one
CID 145950519
4-Chloro-2-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenoxy)ethylamino]pyridazin-3-one
CID 145951014
4-Chloro-2-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-5-[2-(2-methoxyphenoxy)ethylamino]pyridazin-3-one
CID 145951166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one (CID 71897014) is 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one is Cn1ncc(NCc2ccc(OCc3cccc(F)c3)cc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one?
The InChIKey is JOTFAZSOTGGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-24-19(25)18(20)17(11-23-24)22-10-13-5-7-16(8-6-13)26-12-14-3-2-4-15(21)9-14/h2-9,11,22H,10,12H2,1H3.
What are the key properties of 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one has a molecular weight of 373.82 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 71897014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).