N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide

C24H16F4N4O — CID 58447699

IUPACN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccnnc2)c(C(F)(F)F)c1)Nc1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H16F4N4O/c25-18-3-1-2-16(12-18)22-7-5-19(14-29-22)32-23(33)11-15-4-6-20(17-8-9-30-31-13-17)21(10-15)24(26,27)28/h1-10,12-14H,11H2,(H,32,33)
InChIKeyZFJRAIMVMICCCQ-UHFFFAOYSA-N
MW452.41 g/mol
LogP5.54
Rot. Bonds5

About N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide

N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 58447699) has the molecular formula C24H16F4N4O and a molecular weight of 452.41 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID58447699
Molecular FormulaC24H16F4N4O
Molecular Weight452.41 g/mol
Exact Mass452.13
IUPAC NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccnnc2)c(C(F)(F)F)c1)Nc1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H16F4N4O/c25-18-3-1-2-16(12-18)22-7-5-19(14-29-22)32-23(33)11-15-4-6-20(17-8-9-30-31-13-17)21(10-15)24(26,27)28/h1-10,12-14H,11H2,(H,32,33)
InChIKeyZFJRAIMVMICCCQ-UHFFFAOYSA-N
XLogP5.54
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.41
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide (CID 58447699) is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(-c2ccnnc2)c(C(F)(F)F)c1)Nc1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZFJRAIMVMICCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O/c25-18-3-1-2-16(12-18)22-7-5-19(14-29-22)32-23(33)11-15-4-6-20(17-8-9-30-31-13-17)21(10-15)24(26,27)28/h1-10,12-14H,11H2,(H,32,33).
What are the key properties of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide?
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 452.41 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58447699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).