2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide

C20H12F6N2O2 — CID 90395944

IUPAC2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide
SMILESCc1ccc(F)c(F)c1C(=O)Nc1ccc(Oc2cc(F)cnc2C(F)(F)F)cc1
InChIInChI=1S/C20H12F6N2O2/c1-10-2-7-14(22)17(23)16(10)19(29)28-12-3-5-13(6-4-12)30-15-8-11(21)9-27-18(15)20(24,25)26/h2-9H,1H3,(H,28,29)
InChIKeyHNKHHJCDFGDVSQ-UHFFFAOYSA-N
MW426.32 g/mol
LogP5.87
Rot. Bonds4

About 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide

2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide (PubChem CID 90395944) has the molecular formula C20H12F6N2O2 and a molecular weight of 426.32 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide
PubChem CID90395944
Molecular FormulaC20H12F6N2O2
Molecular Weight426.32 g/mol
Exact Mass426.08
IUPAC Name2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide
SMILESCc1ccc(F)c(F)c1C(=O)Nc1ccc(Oc2cc(F)cnc2C(F)(F)F)cc1
InChIInChI=1S/C20H12F6N2O2/c1-10-2-7-14(22)17(23)16(10)19(29)28-12-3-5-13(6-4-12)30-15-8-11(21)9-27-18(15)20(24,25)26/h2-9H,1H3,(H,28,29)
InChIKeyHNKHHJCDFGDVSQ-UHFFFAOYSA-N
XLogP5.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.32
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90393844
2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90393813
2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90395990
2,6-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;2,6-difluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide;2,6-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-4-methylbenzamide;2,6-difluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzamide;2,6-difluoro-4-methyl-N-[4-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide;2,6-difluoro-4-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide;2,6-difluoro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide
CID 161214843
2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide
CID 90393826
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 137406357
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
2-fluoro-3-methyl-N-(2-oxidopyridazin-2-ium-4-yl)-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 170241447
2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
CID 53329942
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide
CID 175011717
4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370765
N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide?
The IUPAC name of 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide (CID 90395944) is 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide?
The canonical SMILES for 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide is Cc1ccc(F)c(F)c1C(=O)Nc1ccc(Oc2cc(F)cnc2C(F)(F)F)cc1.
What is the InChIKey of 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide?
The InChIKey is HNKHHJCDFGDVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N2O2/c1-10-2-7-14(22)17(23)16(10)19(29)28-12-3-5-13(6-4-12)30-15-8-11(21)9-27-18(15)20(24,25)26/h2-9H,1H3,(H,28,29).
What are the key properties of 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide?
2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide has a molecular weight of 426.32 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide is sourced from PubChem (CID 90395944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).