N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide

C13H16FNO4 — CID 110166110

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide
SMILESO=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cccc(F)c1O
InChIInChI=1S/C13H16FNO4/c14-8-4-1-3-7(11(8)17)13(19)15-9-5-2-6-10(16)12(9)18/h1,3-4,9-10,12,16-18H,2,5-6H2,(H,15,19)/t9-,10-,12-/m1/s1
InChIKeyNYPXEAHKUMCMII-CKYFFXLPSA-N
MW269.27 g/mol
LogP0.54
Rot. Bonds2

About N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide (PubChem CID 110166110) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide
PubChem CID110166110
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide
SMILESO=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cccc(F)c1O
InChIInChI=1S/C13H16FNO4/c14-8-4-1-3-7(11(8)17)13(19)15-9-5-2-6-10(16)12(9)18/h1,3-4,9-10,12,16-18H,2,5-6H2,(H,15,19)/t9-,10-,12-/m1/s1
InChIKeyNYPXEAHKUMCMII-CKYFFXLPSA-N
XLogP0.54
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycycloheptyl]-3-fluoro-2-hydroxybenzamide
CID 110166087
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
CID 110125479
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848
N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
CID 103727628
2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
2,5-difluoro-N-(2-hydroxycyclopentyl)benzamide
CID 43835745
4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide
CID 110166111
2-amino-3-fluoro-N-(2-methylcyclopentyl)benzamide
CID 63279485
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
CID 110125116
3-bromo-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]benzamide
CID 110166075

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide (CID 110166110) is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide is O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cccc(F)c1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide?
The InChIKey is NYPXEAHKUMCMII-CKYFFXLPSA-N. The full InChI is InChI=1S/C13H16FNO4/c14-8-4-1-3-7(11(8)17)13(19)15-9-5-2-6-10(16)12(9)18/h1,3-4,9-10,12,16-18H,2,5-6H2,(H,15,19)/t9-,10-,12-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide has a molecular weight of 269.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 110166110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).