2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide

C20H17ClFN3O2 — CID 43991057

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide
SMILESCCOc1ccc(-c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)nn1
InChIInChI=1S/C20H17ClFN3O2/c1-2-27-20-11-10-18(24-25-20)13-6-8-14(9-7-13)23-19(26)12-15-16(21)4-3-5-17(15)22/h3-11H,2,12H2,1H3,(H,23,26)
InChIKeyBYEKWVKAHATEDK-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.52
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide (PubChem CID 43991057) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide
PubChem CID43991057
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide
SMILESCCOc1ccc(-c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)nn1
InChIInChI=1S/C20H17ClFN3O2/c1-2-27-20-11-10-18(24-25-20)13-6-8-14(9-7-13)23-19(26)12-15-16(21)4-3-5-17(15)22/h3-11H,2,12H2,1H3,(H,23,26)
InChIKeyBYEKWVKAHATEDK-UHFFFAOYSA-N
XLogP4.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide (CID 43991057) is 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide is CCOc1ccc(-c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)nn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide?
The InChIKey is BYEKWVKAHATEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-2-27-20-11-10-18(24-25-20)13-6-8-14(9-7-13)23-19(26)12-15-16(21)4-3-5-17(15)22/h3-11H,2,12H2,1H3,(H,23,26).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide has a molecular weight of 385.83 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43991057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).