2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

C23H20F3N3O2 — CID 156814402

IUPAC2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1c(-c2ccccc2)cccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)16-9-10-20(28-13-16)31-17-11-12-29(14-17)19-8-4-7-18(21(19)22(27)30)15-5-2-1-3-6-15/h1-10,13,17H,11-12,14H2,(H2,27,30)/t17-/m0/s1
InChIKeyNZVAPYOSNIAODM-KRWDZBQOSA-N
MW427.43 g/mol
LogP4.52
Rot. Bonds5

About 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (PubChem CID 156814402) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
PubChem CID156814402
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1c(-c2ccccc2)cccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)16-9-10-20(28-13-16)31-17-11-12-29(14-17)19-8-4-7-18(21(19)22(27)30)15-5-2-1-3-6-15/h1-10,13,17H,11-12,14H2,(H2,27,30)/t17-/m0/s1
InChIKeyNZVAPYOSNIAODM-KRWDZBQOSA-N
XLogP4.52
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (CID 156814402) is 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is NC(=O)c1c(-c2ccccc2)cccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is NZVAPYOSNIAODM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)16-9-10-20(28-13-16)31-17-11-12-29(14-17)19-8-4-7-18(21(19)22(27)30)15-5-2-1-3-6-15/h1-10,13,17H,11-12,14H2,(H2,27,30)/t17-/m0/s1.
What are the key properties of 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 427.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 156814402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).