N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide

C22H20F3N3O2 — CID 25051388

IUPACN-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESNCc1cc(Oc2cccc(CCNC(=O)c3cccc(C(F)(F)F)c3)c2)ccn1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)17-5-2-4-16(12-17)21(29)28-9-7-15-3-1-6-19(11-15)30-20-8-10-27-18(13-20)14-26/h1-6,8,10-13H,7,9,14,26H2,(H,28,29)
InChIKeyUIVCZOBXHJNYML-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.32
Rot. Bonds7

About N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide

N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 25051388) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID25051388
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESNCc1cc(Oc2cccc(CCNC(=O)c3cccc(C(F)(F)F)c3)c2)ccn1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)17-5-2-4-16(12-17)21(29)28-9-7-15-3-1-6-19(11-15)30-20-8-10-27-18(13-20)14-26/h1-6,8,10-13H,7,9,14,26H2,(H,28,29)
InChIKeyUIVCZOBXHJNYML-UHFFFAOYSA-N
XLogP4.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide (CID 25051388) is N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide is NCc1cc(Oc2cccc(CCNC(=O)c3cccc(C(F)(F)F)c3)c2)ccn1.
What is the InChIKey of N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UIVCZOBXHJNYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)17-5-2-4-16(12-17)21(29)28-9-7-15-3-1-6-19(11-15)30-20-8-10-27-18(13-20)14-26/h1-6,8,10-13H,7,9,14,26H2,(H,28,29).
What are the key properties of N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 415.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25051388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).