2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C20H20ClN3O3 — CID 15996422

IUPAC2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN2N=C(c3ccc(Cl)cc3)CCC2=O)c1
InChIInChI=1S/C20H20ClN3O3/c1-27-17-4-2-3-14(11-17)12-22-19(25)13-24-20(26)10-9-18(23-24)15-5-7-16(21)8-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,22,25)
InChIKeyDGLZKPBNVDLTLU-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.99
Rot. Bonds6

About 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 15996422) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID15996422
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN2N=C(c3ccc(Cl)cc3)CCC2=O)c1
InChIInChI=1S/C20H20ClN3O3/c1-27-17-4-2-3-14(11-17)12-22-19(25)13-24-20(26)10-9-18(23-24)15-5-7-16(21)8-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,22,25)
InChIKeyDGLZKPBNVDLTLU-UHFFFAOYSA-N
XLogP2.99
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 15996422) is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CN2N=C(c3ccc(Cl)cc3)CCC2=O)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is DGLZKPBNVDLTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-27-17-4-2-3-14(11-17)12-22-19(25)13-24-20(26)10-9-18(23-24)15-5-7-16(21)8-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 15996422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).