3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide

C14H18FNO4 — CID 110166117

IUPAC3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2cccc(F)c2O)[C@H]1O
InChIInChI=1S/C14H18FNO4/c1-20-11-7-3-6-10(13(11)18)16-14(19)8-4-2-5-9(15)12(8)17/h2,4-5,10-11,13,17-18H,3,6-7H2,1H3,(H,16,19)/t10-,11-,13-/m1/s1
InChIKeyVXQKIIVEHIKJGY-NQBHXWOUSA-N
MW283.30 g/mol
LogP1.19
Rot. Bonds3

About 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide

3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide (PubChem CID 110166117) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
PubChem CID110166117
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2cccc(F)c2O)[C@H]1O
InChIInChI=1S/C14H18FNO4/c1-20-11-7-3-6-10(13(11)18)16-14(19)8-4-2-5-9(15)12(8)17/h2,4-5,10-11,13,17-18H,3,6-7H2,1H3,(H,16,19)/t10-,11-,13-/m1/s1
InChIKeyVXQKIIVEHIKJGY-NQBHXWOUSA-N
XLogP1.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide?
The IUPAC name of 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide (CID 110166117) is 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide.
What is the SMILES notation for 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide?
The canonical SMILES for 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide is CO[C@@H]1CCC[C@@H](NC(=O)c2cccc(F)c2O)[C@H]1O.
What is the InChIKey of 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide?
The InChIKey is VXQKIIVEHIKJGY-NQBHXWOUSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-20-11-7-3-6-10(13(11)18)16-14(19)8-4-2-5-9(15)12(8)17/h2,4-5,10-11,13,17-18H,3,6-7H2,1H3,(H,16,19)/t10-,11-,13-/m1/s1.
What are the key properties of 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide?
3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide has a molecular weight of 283.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide is sourced from PubChem (CID 110166117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).