5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide

C16H15Cl2FN2O3 — CID 123929406

IUPAC5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(N)=O)cc2Cl)cc1Cl
InChIInChI=1S/C16H15Cl2FN2O3/c1-8(2)7-23-16-12(18)3-9(6-21-16)24-14-5-13(19)10(15(20)22)4-11(14)17/h3-6,8H,7H2,1-2H3,(H2,20,22)
InChIKeyOTBWEDBETUGNTN-UHFFFAOYSA-N
MW373.21 g/mol
LogP4.45
Rot. Bonds6

About 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide

5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide (PubChem CID 123929406) has the molecular formula C16H15Cl2FN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide
PubChem CID123929406
Molecular FormulaC16H15Cl2FN2O3
Molecular Weight373.21 g/mol
Exact Mass372.04
IUPAC Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(N)=O)cc2Cl)cc1Cl
InChIInChI=1S/C16H15Cl2FN2O3/c1-8(2)7-23-16-12(18)3-9(6-21-16)24-14-5-13(19)10(15(20)22)4-11(14)17/h3-6,8H,7H2,1-2H3,(H2,20,22)
InChIKeyOTBWEDBETUGNTN-UHFFFAOYSA-N
XLogP4.45
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide?
The IUPAC name of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide (CID 123929406) is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide is CC(C)COc1ncc(Oc2cc(F)c(C(N)=O)cc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide?
The InChIKey is OTBWEDBETUGNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O3/c1-8(2)7-23-16-12(18)3-9(6-21-16)24-14-5-13(19)10(15(20)22)4-11(14)17/h3-6,8H,7H2,1-2H3,(H2,20,22).
What are the key properties of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide?
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide has a molecular weight of 373.21 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide is sourced from PubChem (CID 123929406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).