2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

C20H13F5N2O2 — CID 90395990

IUPAC2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESCc1ccc(F)c(F)c1C(=O)Nc1ccc(Oc2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C20H13F5N2O2/c1-11-2-7-15(21)18(22)17(11)19(28)27-12-3-5-13(6-4-12)29-16-10-26-9-8-14(16)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKeySFPYZRIYAVZEJX-UHFFFAOYSA-N
MW408.33 g/mol
LogP5.73
Rot. Bonds4

About 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (PubChem CID 90395990) has the molecular formula C20H13F5N2O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
PubChem CID90395990
Molecular FormulaC20H13F5N2O2
Molecular Weight408.33 g/mol
Exact Mass408.09
IUPAC Name2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESCc1ccc(F)c(F)c1C(=O)Nc1ccc(Oc2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C20H13F5N2O2/c1-11-2-7-15(21)18(22)17(11)19(28)27-12-3-5-13(6-4-12)29-16-10-26-9-8-14(16)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKeySFPYZRIYAVZEJX-UHFFFAOYSA-N
XLogP5.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide
CID 90395944
2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90393844
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
6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-2-methyl-N-pyridin-3-yl-3-(trifluoromethyl)benzamide
CID 169207644
4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370765
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410942
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 25231150
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406529

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The IUPAC name of 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (CID 90395990) is 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.
What is the SMILES notation for 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The canonical SMILES for 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is Cc1ccc(F)c(F)c1C(=O)Nc1ccc(Oc2cnccc2C(F)(F)F)cc1.
What is the InChIKey of 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The InChIKey is SFPYZRIYAVZEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O2/c1-11-2-7-15(21)18(22)17(11)19(28)27-12-3-5-13(6-4-12)29-16-10-26-9-8-14(16)20(23,24)25/h2-10H,1H3,(H,27,28).
What are the key properties of 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 408.33 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 90395990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).