2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide

C23H16ClF7N2O4 — CID 19792674

IUPAC2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Nc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C23H16ClF7N2O4/c1-12(19(34)33-14-2-4-17(5-3-14)37-23(30,31)21(25)26)35-15-6-8-16(9-7-15)36-20-18(24)10-13(11-32-20)22(27,28)29/h2-12,21H,1H3,(H,33,34)
InChIKeyYIXYDVSNDZWBKY-UHFFFAOYSA-N
MW552.83 g/mol
LogP7.19
Rot. Bonds9

About 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide

2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide (PubChem CID 19792674) has the molecular formula C23H16ClF7N2O4 and a molecular weight of 552.83 g/mol. Its IUPAC name is 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide
PubChem CID19792674
Molecular FormulaC23H16ClF7N2O4
Molecular Weight552.83 g/mol
Exact Mass552.07
IUPAC Name2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Nc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C23H16ClF7N2O4/c1-12(19(34)33-14-2-4-17(5-3-14)37-23(30,31)21(25)26)35-15-6-8-16(9-7-15)36-20-18(24)10-13(11-32-20)22(27,28)29/h2-12,21H,1H3,(H,33,34)
InChIKeyYIXYDVSNDZWBKY-UHFFFAOYSA-N
XLogP7.19
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.83
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide?
The IUPAC name of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide (CID 19792674) is 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide.
What is the SMILES notation for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide?
The canonical SMILES for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide is CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Nc1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide?
The InChIKey is YIXYDVSNDZWBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF7N2O4/c1-12(19(34)33-14-2-4-17(5-3-14)37-23(30,31)21(25)26)35-15-6-8-16(9-7-15)36-20-18(24)10-13(11-32-20)22(27,28)29/h2-12,21H,1H3,(H,33,34).
What are the key properties of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide?
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide has a molecular weight of 552.83 g/mol, XLogP of 7.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 19792674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).