N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide

C17H15F3N2O3 — CID 56764240

IUPACN'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)16(25,12-7-3-1-4-8-12)11-21-14(23)15(24)22-13-9-5-2-6-10-13/h1-10,25H,11H2,(H,21,23)(H,22,24)
InChIKeyRMSRUYNFKSOZJB-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.19
Rot. Bonds4

About N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide

N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide (PubChem CID 56764240) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
PubChem CID56764240
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)16(25,12-7-3-1-4-8-12)11-21-14(23)15(24)22-13-9-5-2-6-10-13/h1-10,25H,11H2,(H,21,23)(H,22,24)
InChIKeyRMSRUYNFKSOZJB-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The IUPAC name of N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide (CID 56764240) is N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide.
What is the SMILES notation for N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The canonical SMILES for N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide is O=C(NCC(O)(c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1.
What is the InChIKey of N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The InChIKey is RMSRUYNFKSOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)16(25,12-7-3-1-4-8-12)11-21-14(23)15(24)22-13-9-5-2-6-10-13/h1-10,25H,11H2,(H,21,23)(H,22,24).
What are the key properties of N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide has a molecular weight of 352.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide is sourced from PubChem (CID 56764240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).