2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C15H18F3NO6 — CID 134129993

IUPAC2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C15H18F3NO6/c16-15(17,18)8-3-1-7(2-4-8)5-10(21)19-11-13(23)12(22)9(6-20)25-14(11)24/h1-4,9,11-14,20,22-24H,5-6H2,(H,19,21)/t9-,11-,12-,13-,14-/m1/s1
InChIKeyHNRDLFVBKRXMHR-DKTYCGPESA-N
MW365.30 g/mol
LogP-0.84
Rot. Bonds4

About 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 134129993) has the molecular formula C15H18F3NO6 and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID134129993
Molecular FormulaC15H18F3NO6
Molecular Weight365.30 g/mol
Exact Mass365.11
IUPAC Name2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C15H18F3NO6/c16-15(17,18)8-3-1-7(2-4-8)5-10(21)19-11-13(23)12(22)9(6-20)25-14(11)24/h1-4,9,11-14,20,22-24H,5-6H2,(H,19,21)/t9-,11-,12-,13-,14-/m1/s1
InChIKeyHNRDLFVBKRXMHR-DKTYCGPESA-N
XLogP-0.84
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 134129993) is 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is HNRDLFVBKRXMHR-DKTYCGPESA-N. The full InChI is InChI=1S/C15H18F3NO6/c16-15(17,18)8-3-1-7(2-4-8)5-10(21)19-11-13(23)12(22)9(6-20)25-14(11)24/h1-4,9,11-14,20,22-24H,5-6H2,(H,19,21)/t9-,11-,12-,13-,14-/m1/s1.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 365.30 g/mol, XLogP of -0.84, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 134129993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).