4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

C13H16ClNO3 — CID 94413889

IUPAC4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO3/c14-8-5-6-9(12(17)7-8)13(18)15-10-3-1-2-4-11(10)16/h5-7,10-11,16-17H,1-4H2,(H,15,18)/t10-,11-/m0/s1
InChIKeyPUMROJPMPXYJSC-QWRGUYRKSA-N
MW269.73 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (PubChem CID 94413889) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
PubChem CID94413889
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO3/c14-8-5-6-9(12(17)7-8)13(18)15-10-3-1-2-4-11(10)16/h5-7,10-11,16-17H,1-4H2,(H,15,18)/t10-,11-/m0/s1
InChIKeyPUMROJPMPXYJSC-QWRGUYRKSA-N
XLogP2.08
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
CID 113272580
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-nitrobenzamide
CID 104927193
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978486
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-chloro-N-(2,4-dimethylcyclohexyl)-2-hydroxybenzamide
CID 63999982
5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62359667
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (CID 94413889) is 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The InChIKey is PUMROJPMPXYJSC-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-8-5-6-9(12(17)7-8)13(18)15-10-3-1-2-4-11(10)16/h5-7,10-11,16-17H,1-4H2,(H,15,18)/t10-,11-/m0/s1.
What are the key properties of 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 94413889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).