4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide

C26H22ClN3O3 — CID 53062286

IUPAC4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-n3nc(OCc4ccc(Cl)cc4)ccc3=O)cc2)cc1
InChIInChI=1S/C26H22ClN3O3/c1-2-18-5-11-22(12-6-18)28-26(32)20-7-13-23(14-8-20)30-25(31)16-15-24(29-30)33-17-19-3-9-21(27)10-4-19/h3-16H,2,17H2,1H3,(H,28,32)
InChIKeyPXSSWRQMGDXHNG-UHFFFAOYSA-N
MW459.93 g/mol
LogP5.28
Rot. Bonds7

About 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide

4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide (PubChem CID 53062286) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide
PubChem CID53062286
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-n3nc(OCc4ccc(Cl)cc4)ccc3=O)cc2)cc1
InChIInChI=1S/C26H22ClN3O3/c1-2-18-5-11-22(12-6-18)28-26(32)20-7-13-23(14-8-20)30-25(31)16-15-24(29-30)33-17-19-3-9-21(27)10-4-19/h3-16H,2,17H2,1H3,(H,28,32)
InChIKeyPXSSWRQMGDXHNG-UHFFFAOYSA-N
XLogP5.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.93
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide
CID 53005572
N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323824
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406514
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53005597
N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-ethylbenzamide
CID 42775826
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-cyanophenyl)methoxy]benzamide
CID 156902361
N-(4-ethylphenyl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277196
N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
CID 46377493

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide?
The IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide (CID 53062286) is 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccc(-n3nc(OCc4ccc(Cl)cc4)ccc3=O)cc2)cc1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide?
The InChIKey is PXSSWRQMGDXHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c1-2-18-5-11-22(12-6-18)28-26(32)20-7-13-23(14-8-20)30-25(31)16-15-24(29-30)33-17-19-3-9-21(27)10-4-19/h3-16H,2,17H2,1H3,(H,28,32).
What are the key properties of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide?
4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide has a molecular weight of 459.93 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 53062286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).