5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide

C13H15ClFNO4 — CID 154563568

IUPAC5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFNO4/c14-7-1-2-9(15)8(5-7)13(19)16-10-3-4-20-11(6-17)12(10)18/h1-2,5,10-12,17-18H,3-4,6H2,(H,16,19)/t10-,11+,12-/m0/s1
InChIKeyNZLSCBUVQFUDMP-TUAOUCFPSA-N
MW303.72 g/mol
LogP0.72
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide

5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide (PubChem CID 154563568) has the molecular formula C13H15ClFNO4 and a molecular weight of 303.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
PubChem CID154563568
Molecular FormulaC13H15ClFNO4
Molecular Weight303.72 g/mol
Exact Mass303.07
IUPAC Name5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFNO4/c14-7-1-2-9(15)8(5-7)13(19)16-10-3-4-20-11(6-17)12(10)18/h1-2,5,10-12,17-18H,3-4,6H2,(H,16,19)/t10-,11+,12-/m0/s1
InChIKeyNZLSCBUVQFUDMP-TUAOUCFPSA-N
XLogP0.72
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide
CID 154819962
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 154567269
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
CID 154823440
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 146038093
5-chloro-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347776
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 154566671

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide (CID 154563568) is 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide is O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide?
The InChIKey is NZLSCBUVQFUDMP-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H15ClFNO4/c14-7-1-2-9(15)8(5-7)13(19)16-10-3-4-20-11(6-17)12(10)18/h1-2,5,10-12,17-18H,3-4,6H2,(H,16,19)/t10-,11+,12-/m0/s1.
What are the key properties of 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide?
5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide has a molecular weight of 303.72 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide is sourced from PubChem (CID 154563568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).