N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide

C15H15ClFN3O3 — CID 156676738

IUPACN-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide
SMILES[2H]C([2H])([2H])C(c1cc(Oc2c(F)cc(NC(C)=O)cc2Cl)n[nH]c1=O)C([2H])([2H])[2H]
InChIInChI=1S/C15H15ClFN3O3/c1-7(2)10-6-13(19-20-15(10)22)23-14-11(16)4-9(5-12(14)17)18-8(3)21/h4-7H,1-3H3,(H,18,21)(H,20,22)/i1D3,2D3
InChIKeyURPLCQYQEUHTMX-WFGJKAKNSA-N
MW345.79 g/mol
LogP3.44
Rot. Bonds6

About N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide

N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide (PubChem CID 156676738) has the molecular formula C15H15ClFN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide
PubChem CID156676738
Molecular FormulaC15H15ClFN3O3
Molecular Weight345.79 g/mol
Exact Mass345.12
IUPAC NameN-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide
SMILES[2H]C([2H])([2H])C(c1cc(Oc2c(F)cc(NC(C)=O)cc2Cl)n[nH]c1=O)C([2H])([2H])[2H]
InChIInChI=1S/C15H15ClFN3O3/c1-7(2)10-6-13(19-20-15(10)22)23-14-11(16)4-9(5-12(14)17)18-8(3)21/h4-7H,1-3H3,(H,18,21)(H,20,22)/i1D3,2D3
InChIKeyURPLCQYQEUHTMX-WFGJKAKNSA-N
XLogP3.44
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide with MolForge

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Related Compounds

N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide
CID 153374508
3-(4-amino-2-bromo-6-chlorophenoxy)-5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-1H-pyridazin-6-one
CID 156635863
3-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]butanoic acid
CID 155296007
[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]boronic acid
CID 155637453
3-(4-amino-2,6-dichlorophenoxy)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyridazin-6-one
CID 162467561
ethyl N-[2-[[3-bromo-5-chloro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]hydrazinylidene]-2-cyanoacetyl]carbamate
CID 175746824
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetic acid
CID 15981207
3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one
CID 141161888
3-(4-amino-2-chloro-6-hydroxyphenoxy)-5-propan-2-yl-1H-pyridazin-6-one
CID 177323780
2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]butanedioic acid
CID 91399578
3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
CID 146402661
5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one
CID 146402576

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide (CID 156676738) is N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide is [2H]C([2H])([2H])C(c1cc(Oc2c(F)cc(NC(C)=O)cc2Cl)n[nH]c1=O)C([2H])([2H])[2H].
What is the InChIKey of N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide?
The InChIKey is URPLCQYQEUHTMX-WFGJKAKNSA-N. The full InChI is InChI=1S/C15H15ClFN3O3/c1-7(2)10-6-13(19-20-15(10)22)23-14-11(16)4-9(5-12(14)17)18-8(3)21/h4-7H,1-3H3,(H,18,21)(H,20,22)/i1D3,2D3.
What are the key properties of N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide?
N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide has a molecular weight of 345.79 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 156676738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).