4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide

C27H24ClN3O3 — CID 53005572

IUPAC4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(-n3nc(OCc4ccc(Cl)cc4)ccc3=O)cc2)cc1
InChIInChI=1S/C27H24ClN3O3/c1-18(2)20-5-11-23(12-6-20)29-27(33)21-7-13-24(14-8-21)31-26(32)16-15-25(30-31)34-17-19-3-9-22(28)10-4-19/h3-16,18H,17H2,1-2H3,(H,29,33)
InChIKeyXMIOGZLHDNVNJX-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.84
Rot. Bonds7

About 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide

4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 53005572) has the molecular formula C27H24ClN3O3 and a molecular weight of 473.96 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide
PubChem CID53005572
Molecular FormulaC27H24ClN3O3
Molecular Weight473.96 g/mol
Exact Mass473.15
IUPAC Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(-n3nc(OCc4ccc(Cl)cc4)ccc3=O)cc2)cc1
InChIInChI=1S/C27H24ClN3O3/c1-18(2)20-5-11-23(12-6-20)29-27(33)21-7-13-24(14-8-21)31-26(32)16-15-25(30-31)34-17-19-3-9-22(28)10-4-19/h3-16,18H,17H2,1-2H3,(H,29,33)
InChIKeyXMIOGZLHDNVNJX-UHFFFAOYSA-N
XLogP5.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate
CID 1472473
4-(p-Chlorohydrocinnamamido)benzoic acid, ethyl ester
CID 13503432
4-[6-(p-Chlorophenyl)hexanamido]benzoic acid, ethyl ester
CID 13503440
Ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate
CID 873944
methyl 4-(4-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)butanamido)benzoate
CID 16884608
ethyl 4-[[(R)-(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate
CID 1957931
4-{3-[(4-Chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}-N-(2-fluorophenyl)benzamide
CID 53005564
4-[3-[(4-chlorobenzyl)oxy]-6-oxo-1(6H)-pyridazinyl]-N-(4-fluorophenyl)benzamide
CID 53005565
4-{3-[(4-Chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}-N-(2,5-difluorophenyl)benzamide
CID 53005573
4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide
CID 53005574
4-[3-[(3-fluorobenzyl)oxy]-6-oxo-1(6H)-pyridazinyl]-N-(2-fluorophenyl)benzamide
CID 53005587
N-(3-Fluorophenyl)-4-{3-[(3-fluorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}benzamide
CID 53005588

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide (CID 53005572) is 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(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-propan-2-ylphenyl)benzamide?
The InChIKey is XMIOGZLHDNVNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O3/c1-18(2)20-5-11-23(12-6-20)29-27(33)21-7-13-24(14-8-21)31-26(32)16-15-25(30-31)34-17-19-3-9-22(28)10-4-19/h3-16,18H,17H2,1-2H3,(H,29,33).
What are the key properties of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide?
4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 473.96 g/mol, XLogP of 5.84, 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-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 53005572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).