5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

C23H19F4N3O2 — CID 156815039

IUPAC5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C23H19F4N3O2/c24-17-5-1-14(2-6-17)15-3-7-20(19(11-15)22(28)31)30-10-9-18(13-30)32-21-8-4-16(12-29-21)23(25,26)27/h1-8,11-12,18H,9-10,13H2,(H2,28,31)/t18-/m0/s1
InChIKeyLKLBTCDKHWBUEI-SFHVURJKSA-N
MW445.42 g/mol
LogP4.66
Rot. Bonds5

About 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (PubChem CID 156815039) has the molecular formula C23H19F4N3O2 and a molecular weight of 445.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
PubChem CID156815039
Molecular FormulaC23H19F4N3O2
Molecular Weight445.42 g/mol
Exact Mass445.14
IUPAC Name5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C23H19F4N3O2/c24-17-5-1-14(2-6-17)15-3-7-20(19(11-15)22(28)31)30-10-9-18(13-30)32-21-8-4-16(12-29-21)23(25,26)27/h1-8,11-12,18H,9-10,13H2,(H2,28,31)/t18-/m0/s1
InChIKeyLKLBTCDKHWBUEI-SFHVURJKSA-N
XLogP4.66
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (CID 156815039) is 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is NC(=O)c1cc(-c2ccc(F)cc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is LKLBTCDKHWBUEI-SFHVURJKSA-N. The full InChI is InChI=1S/C23H19F4N3O2/c24-17-5-1-14(2-6-17)15-3-7-20(19(11-15)22(28)31)30-10-9-18(13-30)32-21-8-4-16(12-29-21)23(25,26)27/h1-8,11-12,18H,9-10,13H2,(H2,28,31)/t18-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 445.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 156815039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).