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

C19H11ClF4N2O2 — CID 10112260

IUPACN-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C19H11ClF4N2O2/c20-15-9-14(26-18(27)11-1-4-13(21)5-2-11)6-7-16(15)28-17-8-3-12(10-25-17)19(22,23)24/h1-10H,(H,26,27)
InChIKeyUETHVICNOIXNBC-UHFFFAOYSA-N
MW410.75 g/mol
LogP5.94
Rot. Bonds4

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

N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide (PubChem CID 10112260) has the molecular formula C19H11ClF4N2O2 and a molecular weight of 410.75 g/mol. Its IUPAC name is N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide
PubChem CID10112260
Molecular FormulaC19H11ClF4N2O2
Molecular Weight410.75 g/mol
Exact Mass410.04
IUPAC NameN-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C19H11ClF4N2O2/c20-15-9-14(26-18(27)11-1-4-13(21)5-2-11)6-7-16(15)28-17-8-3-12(10-25-17)19(22,23)24/h1-10H,(H,26,27)
InChIKeyUETHVICNOIXNBC-UHFFFAOYSA-N
XLogP5.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.75
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide (CID 10112260) is N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide?
The InChIKey is UETHVICNOIXNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF4N2O2/c20-15-9-14(26-18(27)11-1-4-13(21)5-2-11)6-7-16(15)28-17-8-3-12(10-25-17)19(22,23)24/h1-10H,(H,26,27).
What are the key properties of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide?
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide has a molecular weight of 410.75 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 10112260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).