2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide

C18H13ClF2N4O — CID 162428180

IUPAC2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide
SMILESO=C(Cc1cccc(F)c1Cl)Nc1cnnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C18H13ClF2N4O/c19-18-11(3-1-6-15(18)21)7-17(26)24-14-9-16(25-22-10-14)23-13-5-2-4-12(20)8-13/h1-6,8-10H,7H2,(H2,23,24,25,26)
InChIKeyWUMMMMBBJXUCOT-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.33
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide

2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide (PubChem CID 162428180) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide
PubChem CID162428180
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide
SMILESO=C(Cc1cccc(F)c1Cl)Nc1cnnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C18H13ClF2N4O/c19-18-11(3-1-6-15(18)21)7-17(26)24-14-9-16(25-22-10-14)23-13-5-2-4-12(20)8-13/h1-6,8-10H,7H2,(H2,23,24,25,26)
InChIKeyWUMMMMBBJXUCOT-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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Related Compounds

2-(2-chloro-3-fluorophenyl)-N-[2-(4-fluoroanilino)-4-pyridinyl]acetamide
CID 162428246
N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162428219
2-(2-chloro-3-fluorophenyl)-N-pyridin-4-ylacetamide
CID 166927626
2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
CID 162428281
3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
CID 114999025
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
N-[5-(3-chloroanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033314
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109119784
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113049086

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide (CID 162428180) is 2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide is O=C(Cc1cccc(F)c1Cl)Nc1cnnc(Nc2cccc(F)c2)c1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide?
The InChIKey is WUMMMMBBJXUCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c19-18-11(3-1-6-15(18)21)7-17(26)24-14-9-16(25-22-10-14)23-13-5-2-4-12(20)8-13/h1-6,8-10H,7H2,(H2,23,24,25,26).
What are the key properties of 2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide?
2-(2-chloro-3-fluorophenyl)-N-[6-(3-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-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide is sourced from PubChem (CID 162428180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).