N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide

C18H15F3N2O2 — CID 95776233

IUPACN-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C18H15F3N2O2/c19-14-8-13(9-15(20)16(14)21)23-18(25)17(24)22-12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyZMBDVGHRQAGYGJ-LBPRGKRZSA-N
MW348.32 g/mol
LogP2.72
Rot. Bonds2

About N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide

N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide (PubChem CID 95776233) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide
PubChem CID95776233
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C18H15F3N2O2/c19-14-8-13(9-15(20)16(14)21)23-18(25)17(24)22-12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyZMBDVGHRQAGYGJ-LBPRGKRZSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide?
The IUPAC name of N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide (CID 95776233) is N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide.
What is the SMILES notation for N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide?
The canonical SMILES for N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide is O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[C@H]1CCc2ccccc2C1.
What is the InChIKey of N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide?
The InChIKey is ZMBDVGHRQAGYGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-14-8-13(9-15(20)16(14)21)23-18(25)17(24)22-12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2,(H,22,24)(H,23,25)/t12-/m0/s1.
What are the key properties of N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide?
N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide has a molecular weight of 348.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-(3,4,5-trifluorophenyl)oxamide is sourced from PubChem (CID 95776233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).