4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide

C19H11Cl2F4N3O2 — CID 154982247

IUPAC4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(Cl)c(C(F)(F)F)cc1C(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C19H11Cl2F4N3O2/c1-9-4-10(22)2-3-15(9)30-16-7-14(20)13(19(23,24)25)6-12(16)18(29)27-11-5-17(21)28-26-8-11/h2-8H,1H3,(H,27,28,29)
InChIKeyUBBMKGHTFMZEBG-UHFFFAOYSA-N
MW460.21 g/mol
LogP6.29
Rot. Bonds4

About 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide

4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide (PubChem CID 154982247) has the molecular formula C19H11Cl2F4N3O2 and a molecular weight of 460.21 g/mol. Its IUPAC name is 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
PubChem CID154982247
Molecular FormulaC19H11Cl2F4N3O2
Molecular Weight460.21 g/mol
Exact Mass459.02
IUPAC Name4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(Cl)c(C(F)(F)F)cc1C(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C19H11Cl2F4N3O2/c1-9-4-10(22)2-3-15(9)30-16-7-14(20)13(19(23,24)25)6-12(16)18(29)27-11-5-17(21)28-26-8-11/h2-8H,1H3,(H,27,28,29)
InChIKeyUBBMKGHTFMZEBG-UHFFFAOYSA-N
XLogP6.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.21
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
CID 155553934
(2R)-2-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-oxo-4-propan-2-yl-N-pyridazin-4-yl-2,3-dihydro-1,4-benzoxazepine-9-carboxamide
CID 70678279
4-[[6-(3-Chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645143
4-[[2-(3-Chloro-4-fluoro-
CID 167370747
4-[[6-(3-Chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790
N-[1-({4-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
CID 67517266
2-{[(4-Fluorophenyl)methyl]oxy}-N-4-pyridazinyl-5-(trifluoromethyl)benzamide
CID 70451363
2-{[(3,4-Difluorophenyl)methyl]oxy}-5-formyl-N-4-pyridazinylbenzamide
CID 86668211
2-{[(4-Fluorophenyl)methyl]oxy}-5-formyl-N-4-pyridazinylbenzamide
CID 86668214
2-[(3,4-difluorophenyl)methoxy]-5-(methoxymethyl)-N-pyridazin-4-ylbenzamide
CID 123145912
2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
CID 123721223
2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide
CID 151011026

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide (CID 154982247) is 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1cc(Cl)c(C(F)(F)F)cc1C(=O)Nc1cnnc(Cl)c1.
What is the InChIKey of 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is UBBMKGHTFMZEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F4N3O2/c1-9-4-10(22)2-3-15(9)30-16-7-14(20)13(19(23,24)25)6-12(16)18(29)27-11-5-17(21)28-26-8-11/h2-8H,1H3,(H,27,28,29).
What are the key properties of 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 460.21 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 154982247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).