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

C14H18FNO6 — CID 134130189

IUPAC2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C14H18FNO6/c15-8-3-1-7(2-4-8)5-10(18)16-11-13(20)12(19)9(6-17)22-14(11)21/h1-4,9,11-14,17,19-21H,5-6H2,(H,16,18)/t9-,11-,12-,13-,14-/m1/s1
InChIKeyMUVHDDNFJQTHHG-DKTYCGPESA-N
MW315.30 g/mol
LogP-1.72
Rot. Bonds4

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

2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 134130189) has the molecular formula C14H18FNO6 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID134130189
Molecular FormulaC14H18FNO6
Molecular Weight315.30 g/mol
Exact Mass315.11
IUPAC Name2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C14H18FNO6/c15-8-3-1-7(2-4-8)5-10(18)16-11-13(20)12(19)9(6-17)22-14(11)21/h1-4,9,11-14,17,19-21H,5-6H2,(H,16,18)/t9-,11-,12-,13-,14-/m1/s1
InChIKeyMUVHDDNFJQTHHG-DKTYCGPESA-N
XLogP-1.72
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 134130189) is 2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is O=C(Cc1ccc(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-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is MUVHDDNFJQTHHG-DKTYCGPESA-N. The full InChI is InChI=1S/C14H18FNO6/c15-8-3-1-7(2-4-8)5-10(18)16-11-13(20)12(19)9(6-17)22-14(11)21/h1-4,9,11-14,17,19-21H,5-6H2,(H,16,18)/t9-,11-,12-,13-,14-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 315.30 g/mol, XLogP of -1.72, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 134130189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).