5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

C13H16BrNO3 — CID 104927973

IUPAC5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrNO3/c14-8-5-6-11(16)9(7-8)13(18)15-10-3-1-2-4-12(10)17/h5-7,10,12,16-17H,1-4H2,(H,15,18)/t10-,12-/m1/s1
InChIKeyBPPHCDDEUAXSCH-ZYHUDNBSSA-N
MW314.18 g/mol
LogP2.19
Rot. Bonds2

About 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (PubChem CID 104927973) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
PubChem CID104927973
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrNO3/c14-8-5-6-11(16)9(7-8)13(18)15-10-3-1-2-4-12(10)17/h5-7,10,12,16-17H,1-4H2,(H,15,18)/t10-,12-/m1/s1
InChIKeyBPPHCDDEUAXSCH-ZYHUDNBSSA-N
XLogP2.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
CID 107729610
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107729418
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
CID 63524339
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (CID 104927973) is 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The InChIKey is BPPHCDDEUAXSCH-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-8-5-6-11(16)9(7-8)13(18)15-10-3-1-2-4-12(10)17/h5-7,10,12,16-17H,1-4H2,(H,15,18)/t10-,12-/m1/s1.
What are the key properties of 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide has a molecular weight of 314.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 104927973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).