5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide

C20H17ClFN3O3 — CID 18569701

IUPAC5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C20H17ClFN3O3/c1-28-18-8-4-14(21)12-16(18)20(27)23-10-11-25-19(26)9-7-17(24-25)13-2-5-15(22)6-3-13/h2-9,12H,10-11H2,1H3,(H,23,27)
InChIKeyXGWWKJHSDIOXEL-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.14
Rot. Bonds6

About 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide

5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide (PubChem CID 18569701) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide
PubChem CID18569701
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC Name5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C20H17ClFN3O3/c1-28-18-8-4-14(21)12-16(18)20(27)23-10-11-25-19(26)9-7-17(24-25)13-2-5-15(22)6-3-13/h2-9,12H,10-11H2,1H3,(H,23,27)
InChIKeyXGWWKJHSDIOXEL-UHFFFAOYSA-N
XLogP3.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide (CID 18569701) is 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide?
The InChIKey is XGWWKJHSDIOXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c1-28-18-8-4-14(21)12-16(18)20(27)23-10-11-25-19(26)9-7-17(24-25)13-2-5-15(22)6-3-13/h2-9,12H,10-11H2,1H3,(H,23,27).
What are the key properties of 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide?
5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide has a molecular weight of 401.83 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 18569701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).