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

C13H16BrNO2 — CID 27109566

IUPAC4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16/h5-8,11-12,16H,1-4H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyUJUOQBLTQZJLHV-VXGBXAGGSA-N
MW298.18 g/mol
LogP2.48
Rot. Bonds2

About 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (PubChem CID 27109566) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
PubChem CID27109566
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16/h5-8,11-12,16H,1-4H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyUJUOQBLTQZJLHV-VXGBXAGGSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide
CID 104927312
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide
CID 86796998
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
CID 6328449
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (CID 27109566) is 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The InChIKey is UJUOQBLTQZJLHV-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16/h5-8,11-12,16H,1-4H2,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide has a molecular weight of 298.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 27109566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).