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

C27H17Cl2F6N3O4 — CID 14498587

IUPAC2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
SMILESCC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C27H17Cl2F6N3O4/c1-14(40-18-6-8-20(9-7-18)42-25-22(29)11-16(13-37-25)27(33,34)35)23(39)38-17-2-4-19(5-3-17)41-24-21(28)10-15(12-36-24)26(30,31)32/h2-14H,1H3,(H,38,39)
InChIKeyJQDCIEZKXYAXJV-UHFFFAOYSA-N
MW632.34 g/mol
LogP8.81
Rot. Bonds8

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

2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide (PubChem CID 14498587) has the molecular formula C27H17Cl2F6N3O4 and a molecular weight of 632.34 g/mol. Its IUPAC name is 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

Compound Name2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
PubChem CID14498587
Molecular FormulaC27H17Cl2F6N3O4
Molecular Weight632.34 g/mol
Exact Mass631.05
IUPAC Name2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
SMILESCC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C27H17Cl2F6N3O4/c1-14(40-18-6-8-20(9-7-18)42-25-22(29)11-16(13-37-25)27(33,34)35)23(39)38-17-2-4-19(5-3-17)41-24-21(28)10-15(12-36-24)26(30,31)32/h2-14H,1H3,(H,38,39)
InChIKeyJQDCIEZKXYAXJV-UHFFFAOYSA-N
XLogP8.81
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.34
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
The IUPAC name of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide (CID 14498587) is 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide.
What is the SMILES notation for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
The canonical SMILES for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide is CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
The InChIKey is JQDCIEZKXYAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2F6N3O4/c1-14(40-18-6-8-20(9-7-18)42-25-22(29)11-16(13-37-25)27(33,34)35)23(39)38-17-2-4-19(5-3-17)41-24-21(28)10-15(12-36-24)26(30,31)32/h2-14H,1H3,(H,38,39).
What are the key properties of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 632.34 g/mol, XLogP of 8.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 14498587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).