2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide

C18H13ClF2N4O — CID 162428151

IUPAC2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)Nc1cnnc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H13ClF2N4O/c19-16-8-13(21)2-1-11(16)7-18(26)24-15-9-17(25-22-10-15)23-14-5-3-12(20)4-6-14/h1-6,8-10H,7H2,(H2,23,24,25,26)
InChIKeyMQHRRPIKICYOKW-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.33
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide

2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide (PubChem CID 162428151) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide
PubChem CID162428151
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)Nc1cnnc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H13ClF2N4O/c19-16-8-13(21)2-1-11(16)7-18(26)24-15-9-17(25-22-10-15)23-14-5-3-12(20)4-6-14/h1-6,8-10H,7H2,(H2,23,24,25,26)
InChIKeyMQHRRPIKICYOKW-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide (CID 162428151) is 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide is O=C(Cc1ccc(F)cc1Cl)Nc1cnnc(Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide?
The InChIKey is MQHRRPIKICYOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c19-16-8-13(21)2-1-11(16)7-18(26)24-15-9-17(25-22-10-15)23-14-5-3-12(20)4-6-14/h1-6,8-10H,7H2,(H2,23,24,25,26).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide?
2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide has a molecular weight of 374.78 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide is sourced from PubChem (CID 162428151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).