2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C18H16ClN3O3 — CID 4293941

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H16ClN3O3/c1-21(11-15-3-2-10-25-15)18(24)12-22-17(23)9-8-16(20-22)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3
InChIKeyJGLODKVJGIOJNG-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.82
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 4293941) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID4293941
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H16ClN3O3/c1-21(11-15-3-2-10-25-15)18(24)12-22-17(23)9-8-16(20-22)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3
InChIKeyJGLODKVJGIOJNG-UHFFFAOYSA-N
XLogP2.82
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 4293941) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is JGLODKVJGIOJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-21(11-15-3-2-10-25-15)18(24)12-22-17(23)9-8-16(20-22)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3.
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 357.80 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 4293941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).