N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide

C20H18FN3O2 — CID 134800856

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCc3ccc(F)cc3)c2)nn1
InChIInChI=1S/C20H18FN3O2/c1-26-19-10-9-18(23-24-19)15-3-2-4-16(13-15)20(25)22-12-11-14-5-7-17(21)8-6-14/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeyPSYKDSRRXDQCFI-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.26
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide

N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134800856) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134800856
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCc3ccc(F)cc3)c2)nn1
InChIInChI=1S/C20H18FN3O2/c1-26-19-10-9-18(23-24-19)15-3-2-4-16(13-15)20(25)22-12-11-14-5-7-17(21)8-6-14/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeyPSYKDSRRXDQCFI-UHFFFAOYSA-N
XLogP3.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide (CID 134800856) is N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2cccc(C(=O)NCCc3ccc(F)cc3)c2)nn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is PSYKDSRRXDQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-19-10-9-18(23-24-19)15-3-2-4-16(13-15)20(25)22-12-11-14-5-7-17(21)8-6-14/h2-10,13H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 351.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134800856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).