N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C18H17F3N2O3 — CID 71782319

IUPACN-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCC(O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-7-4-8-14(11-13)23-17(26)16(25)22-10-9-15(24)12-5-2-1-3-6-12/h1-8,11,15,24H,9-10H2,(H,22,25)(H,23,26)
InChIKeyVELPLCXCBQPADB-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.88
Rot. Bonds5

About N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 71782319) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID71782319
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCC(O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-7-4-8-14(11-13)23-17(26)16(25)22-10-9-15(24)12-5-2-1-3-6-12/h1-8,11,15,24H,9-10H2,(H,22,25)(H,23,26)
InChIKeyVELPLCXCBQPADB-UHFFFAOYSA-N
XLogP2.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.88
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-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 71782319) is N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is O=C(NCCC(O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is VELPLCXCBQPADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-7-4-8-14(11-13)23-17(26)16(25)22-10-9-15(24)12-5-2-1-3-6-12/h1-8,11,15,24H,9-10H2,(H,22,25)(H,23,26).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 366.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 71782319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).