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

C19H12ClF4N3O2 — CID 154982249

IUPACN-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C19H12ClF4N3O2/c1-10-6-12(21)3-5-15(10)29-16-4-2-11(19(22,23)24)7-14(16)18(28)26-13-8-17(20)27-25-9-13/h2-9H,1H3,(H,26,27,28)
InChIKeyPSESUNQAOHDCMX-UHFFFAOYSA-N
MW425.77 g/mol
LogP5.64
Rot. Bonds4

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

N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide (PubChem CID 154982249) has the molecular formula C19H12ClF4N3O2 and a molecular weight of 425.77 g/mol. Its IUPAC name is N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
PubChem CID154982249
Molecular FormulaC19H12ClF4N3O2
Molecular Weight425.77 g/mol
Exact Mass425.06
IUPAC NameN-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C19H12ClF4N3O2/c1-10-6-12(21)3-5-15(10)29-16-4-2-11(19(22,23)24)7-14(16)18(28)26-13-8-17(20)27-25-9-13/h2-9H,1H3,(H,26,27,28)
InChIKeyPSESUNQAOHDCMX-UHFFFAOYSA-N
XLogP5.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.77
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3-difluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155521075
5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155540491
5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155553547
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
Nav1.8-IN-7
CID 167111969
4-[[2-(3-Chloro-4-fluoro-
CID 167370747
5-[[6-(4-Chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370756
4-[[6-(4-Chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370776
5-[[6-(4-Chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370777
4-[[6-(3-Chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide (CID 154982249) is N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cnnc(Cl)c1.
What is the InChIKey of N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is PSESUNQAOHDCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4N3O2/c1-10-6-12(21)3-5-15(10)29-16-4-2-11(19(22,23)24)7-14(16)18(28)26-13-8-17(20)27-25-9-13/h2-9H,1H3,(H,26,27,28).
What are the key properties of N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 425.77 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 154982249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).