N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide

C15H17F3N2O3 — CID 97042707

IUPACN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NCC(F)(F)F)C(=O)NC[C@]1(O)CCc2ccccc2C1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)9-20-13(22)12(21)19-8-14(23)6-5-10-3-1-2-4-11(10)7-14/h1-4,23H,5-9H2,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyURHDJJABIREEAW-AWEZNQCLSA-N
MW330.31 g/mol
LogP0.70
Rot. Bonds3

About N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide

N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 97042707) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID97042707
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NCC(F)(F)F)C(=O)NC[C@]1(O)CCc2ccccc2C1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)9-20-13(22)12(21)19-8-14(23)6-5-10-3-1-2-4-11(10)7-14/h1-4,23H,5-9H2,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyURHDJJABIREEAW-AWEZNQCLSA-N
XLogP0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide 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-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 97042707) is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide is O=C(NCC(F)(F)F)C(=O)NC[C@]1(O)CCc2ccccc2C1.
What is the InChIKey of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is URHDJJABIREEAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-15(17,18)9-20-13(22)12(21)19-8-14(23)6-5-10-3-1-2-4-11(10)7-14/h1-4,23H,5-9H2,(H,19,21)(H,20,22)/t14-/m0/s1.
What are the key properties of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 330.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 97042707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).