(3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide

C20H20F3N3O2 — CID 95247840

IUPAC(3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-7-4-8-17(12-16)24-25-19(28)15-11-18(27)26(13-15)10-9-14-5-2-1-3-6-14/h1-8,12,15,24H,9-11,13H2,(H,25,28)/t15-/m1/s1
InChIKeyGLQDLSHSYQBSAB-OAHLLOKOSA-N
MW391.39 g/mol
LogP3.24
Rot. Bonds6

About (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide

(3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide (PubChem CID 95247840) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
PubChem CID95247840
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name(3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-7-4-8-17(12-16)24-25-19(28)15-11-18(27)26(13-15)10-9-14-5-2-1-3-6-14/h1-8,12,15,24H,9-11,13H2,(H,25,28)/t15-/m1/s1
InChIKeyGLQDLSHSYQBSAB-OAHLLOKOSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide?
The IUPAC name of (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide (CID 95247840) is (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide is O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide?
The InChIKey is GLQDLSHSYQBSAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)16-7-4-8-17(12-16)24-25-19(28)15-11-18(27)26(13-15)10-9-14-5-2-1-3-6-14/h1-8,12,15,24H,9-11,13H2,(H,25,28)/t15-/m1/s1.
What are the key properties of (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide?
(3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide has a molecular weight of 391.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 95247840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).