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

C22H15ClF6N2O4 — CID 19792667

IUPAC2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H15ClF6N2O4/c1-12(19(32)31-14-2-4-17(5-3-14)35-22(27,28)29)33-15-6-8-16(9-7-15)34-20-18(23)10-13(11-30-20)21(24,25)26/h2-12H,1H3,(H,31,32)
InChIKeyQKFSOGDXUGTCNC-UHFFFAOYSA-N
MW520.81 g/mol
LogP6.85
Rot. Bonds7

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

2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 19792667) has the molecular formula C22H15ClF6N2O4 and a molecular weight of 520.81 g/mol. Its IUPAC name is 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID19792667
Molecular FormulaC22H15ClF6N2O4
Molecular Weight520.81 g/mol
Exact Mass520.06
IUPAC Name2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H15ClF6N2O4/c1-12(19(32)31-14-2-4-17(5-3-14)35-22(27,28)29)33-15-6-8-16(9-7-15)34-20-18(23)10-13(11-30-20)21(24,25)26/h2-12H,1H3,(H,31,32)
InChIKeyQKFSOGDXUGTCNC-UHFFFAOYSA-N
XLogP6.85
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.81
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 19792667) is 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide is CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is QKFSOGDXUGTCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF6N2O4/c1-12(19(32)31-14-2-4-17(5-3-14)35-22(27,28)29)33-15-6-8-16(9-7-15)34-20-18(23)10-13(11-30-20)21(24,25)26/h2-12H,1H3,(H,31,32).
What are the key properties of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 520.81 g/mol, XLogP of 6.85, 7 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-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 19792667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).