5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine

C63H42Cl5F12N11O9 — CID 165109829

IUPAC5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)NC1=CC(=O)CN=C1.Cc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cnn(CO)c(=O)c1.Cc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cnnc(Cl)c1.Nc1cnnc(Cl)c1
InChIInChI=1S/C20H14ClF4N3O4.C20H13ClF4N2O3.C19H11Cl2F4N3O2.C4H4ClN3/c1-10-4-11(22)2-3-16(10)32-17-7-14(20(23,24)25)15(21)6-13(17)19(31)27-12-5-18(30)28(9-29)26-8-12;1-10-4-11(22)2-3-17(10)30-18-7-15(20(23,24)25)16(21)6-14(18)19(29)27-12-5-13(28)9-26-8-12;1-9-4-10(22)2-3-15(9)30-16-7-13(19(23,24)25)14(20)6-12(16)18(29)27-11-5-17(21)28-26-8-11;5-4-1-3(6)2-7-8-4/h2-8,29H,9H2,1H3,(H,27,31);2-8H,9H2,1H3,(H,27,29);2-8H,1H3,(H,27,28,29);1-2H,(H2,6,8)
InChIKeyZTKPFYZSKDHMBV-UHFFFAOYSA-N
MW1502.34 g/mol
LogP16.23
Rot. Bonds13

About 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine

5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine (PubChem CID 165109829) has the molecular formula C63H42Cl5F12N11O9 and a molecular weight of 1502.34 g/mol. Its IUPAC name is 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine
PubChem CID165109829
Molecular FormulaC63H42Cl5F12N11O9
Molecular Weight1502.34 g/mol
Exact Mass1499.14
IUPAC Name5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)NC1=CC(=O)CN=C1.Cc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cnn(CO)c(=O)c1.Cc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cnnc(Cl)c1.Nc1cnnc(Cl)c1
InChIInChI=1S/C20H14ClF4N3O4.C20H13ClF4N2O3.C19H11Cl2F4N3O2.C4H4ClN3/c1-10-4-11(22)2-3-16(10)32-17-7-14(20(23,24)25)15(21)6-13(17)19(31)27-12-5-18(30)28(9-29)26-8-12;1-10-4-11(22)2-3-17(10)30-18-7-15(20(23,24)25)16(21)6-14(18)19(29)27-12-5-13(28)9-26-8-12;1-9-4-10(22)2-3-15(9)30-16-7-13(19(23,24)25)14(20)6-12(16)18(29)27-11-5-17(21)28-26-8-11;5-4-1-3(6)2-7-8-4/h2-8,29H,9H2,1H3,(H,27,31);2-8H,9H2,1H3,(H,27,29);2-8H,1H3,(H,27,28,29);1-2H,(H2,6,8)
InChIKeyZTKPFYZSKDHMBV-UHFFFAOYSA-N
XLogP16.23
TPSA277.12 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001502.34
LogP ≤ 516.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine?
The IUPAC name of 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine (CID 165109829) is 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine.
What is the SMILES notation for 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine?
The canonical SMILES for 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine is Cc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)NC1=CC(=O)CN=C1.Cc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cnn(CO)c(=O)c1.Cc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cnnc(Cl)c1.Nc1cnnc(Cl)c1.
What is the InChIKey of 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine?
The InChIKey is ZTKPFYZSKDHMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF4N3O4.C20H13ClF4N2O3.C19H11Cl2F4N3O2.C4H4ClN3/c1-10-4-11(22)2-3-16(10)32-17-7-14(20(23,24)25)15(21)6-13(17)19(31)27-12-5-18(30)28(9-29)26-8-12;1-10-4-11(22)2-3-17(10)30-18-7-15(20(23,24)25)16(21)6-14(18)19(29)27-12-5-13(28)9-26-8-12;1-9-4-10(22)2-3-15(9)30-16-7-13(19(23,24)25)14(20)6-12(16)18(29)27-11-5-17(21)28-26-8-11;5-4-1-3(6)2-7-8-4/h2-8,29H,9H2,1H3,(H,27,31);2-8H,9H2,1H3,(H,27,29);2-8H,1H3,(H,27,28,29);1-2H,(H2,6,8).
What are the key properties of 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine?
5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine has a molecular weight of 1502.34 g/mol, XLogP of 16.23, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-[1-(hydroxymethyl)-6-oxopyridazin-4-yl]-4-(trifluoromethyl)benzamide;5-chloro-2-(4-fluoro-2-methylphenoxy)-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide;6-chloropyridazin-4-amine is sourced from PubChem (CID 165109829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).