5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

C18H15F6N3O2 — CID 166004209

IUPAC5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C18H15F6N3O2/c19-17(20,21)10-1-3-14(13(7-10)16(25)28)27-6-5-12(9-27)29-15-4-2-11(8-26-15)18(22,23)24/h1-4,7-8,12H,5-6,9H2,(H2,25,28)/t12-/m1/s1
InChIKeyOTRIOVPTJQQORL-GFCCVEGCSA-N
MW419.33 g/mol
LogP3.88
Rot. Bonds4

About 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (PubChem CID 166004209) has the molecular formula C18H15F6N3O2 and a molecular weight of 419.33 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
PubChem CID166004209
Molecular FormulaC18H15F6N3O2
Molecular Weight419.33 g/mol
Exact Mass419.11
IUPAC Name5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C18H15F6N3O2/c19-17(20,21)10-1-3-14(13(7-10)16(25)28)27-6-5-12(9-27)29-15-4-2-11(8-26-15)18(22,23)24/h1-4,7-8,12H,5-6,9H2,(H2,25,28)/t12-/m1/s1
InChIKeyOTRIOVPTJQQORL-GFCCVEGCSA-N
XLogP3.88
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (CID 166004209) is 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is NC(=O)c1cc(C(F)(F)F)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is OTRIOVPTJQQORL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15F6N3O2/c19-17(20,21)10-1-3-14(13(7-10)16(25)28)27-6-5-12(9-27)29-15-4-2-11(8-26-15)18(22,23)24/h1-4,7-8,12H,5-6,9H2,(H2,25,28)/t12-/m1/s1.
What are the key properties of 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 419.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 166004209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).