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

C25H24F3N3O3 — CID 156814839

IUPACN-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESO=C(NCCO)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)19-7-9-23(30-15-19)34-20-10-12-31(16-20)22-8-6-18(17-4-2-1-3-5-17)14-21(22)24(33)29-11-13-32/h1-9,14-15,20,32H,10-13,16H2,(H,29,33)/t20-/m0/s1
InChIKeyVZRPWZYLNAKUNB-FQEVSTJZSA-N
MW471.48 g/mol
LogP4.15
Rot. Bonds7

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

N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (PubChem CID 156814839) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
PubChem CID156814839
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC NameN-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESO=C(NCCO)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)19-7-9-23(30-15-19)34-20-10-12-31(16-20)22-8-6-18(17-4-2-1-3-5-17)14-21(22)24(33)29-11-13-32/h1-9,14-15,20,32H,10-13,16H2,(H,29,33)/t20-/m0/s1
InChIKeyVZRPWZYLNAKUNB-FQEVSTJZSA-N
XLogP4.15
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (CID 156814839) is N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is O=C(NCCO)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is VZRPWZYLNAKUNB-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c26-25(27,28)19-7-9-23(30-15-19)34-20-10-12-31(16-20)22-8-6-18(17-4-2-1-3-5-17)14-21(22)24(33)29-11-13-32/h1-9,14-15,20,32H,10-13,16H2,(H,29,33)/t20-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 471.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 156814839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).