2-benzyl-4-chloro-5-phenoxypyridazin-3-one

C17H13ClN2O2 — CID 2518397

IUPAC2-benzyl-4-chloro-5-phenoxypyridazin-3-one
SMILESO=c1c(Cl)c(Oc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-16-15(22-14-9-5-2-6-10-14)11-19-20(17(16)21)12-13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyNRQZJVAFRWKUGA-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.74
Rot. Bonds4

About 2-benzyl-4-chloro-5-phenoxypyridazin-3-one

2-benzyl-4-chloro-5-phenoxypyridazin-3-one (PubChem CID 2518397) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-phenoxypyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-phenoxypyridazin-3-one
PubChem CID2518397
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name2-benzyl-4-chloro-5-phenoxypyridazin-3-one
SMILESO=c1c(Cl)c(Oc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-16-15(22-14-9-5-2-6-10-14)11-19-20(17(16)21)12-13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyNRQZJVAFRWKUGA-UHFFFAOYSA-N
XLogP3.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-6-(4-methoxystyryl)-3(2H)-pyridazinone
CID 5707547
5-Chloro-4-(4-methoxyphenoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 50904440
5-Chloro-2-[(3,5-dimethylphenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904462
5-Chloro-4-(4-methoxyphenoxy)-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 50904488
5-Chloro-4-(4-methoxyphenoxy)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 50904510
2-Benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
CID 53234167
5-Chloro-2-[(2-ethylphenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 53234176
5-Chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one
CID 53257006
5-Chloro-4-(4-methoxyphenoxy)-2-[(2-propan-2-ylphenyl)methyl]pyridazin-3-one
CID 53257015
5-Chloro-2-[(2,6-dimethylphenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 53384701
2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3(2H)-one
CID 838927
(Z)-2-benzyl-4-chloro-5-(2-(2-ethoxybenzylidene)hydrazinyl)pyridazin-3(2H)-one
CID 16448838

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-phenoxypyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-phenoxypyridazin-3-one (CID 2518397) is 2-benzyl-4-chloro-5-phenoxypyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-phenoxypyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-phenoxypyridazin-3-one is O=c1c(Cl)c(Oc2ccccc2)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-chloro-5-phenoxypyridazin-3-one?
The InChIKey is NRQZJVAFRWKUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-16-15(22-14-9-5-2-6-10-14)11-19-20(17(16)21)12-13-7-3-1-4-8-13/h1-11H,12H2.
What are the key properties of 2-benzyl-4-chloro-5-phenoxypyridazin-3-one?
2-benzyl-4-chloro-5-phenoxypyridazin-3-one has a molecular weight of 312.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-phenoxypyridazin-3-one is sourced from PubChem (CID 2518397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).