N-(2-bromocyclohexyl)-3-hydroxybenzamide

C13H16BrNO2 — CID 114311869

IUPACN-(2-bromocyclohexyl)-3-hydroxybenzamide
SMILESO=C(NC1CCCCC1Br)c1cccc(O)c1
InChIInChI=1S/C13H16BrNO2/c14-11-6-1-2-7-12(11)15-13(17)9-4-3-5-10(16)8-9/h3-5,8,11-12,16H,1-2,6-7H2,(H,15,17)
InChIKeyXSWOBNBKFDSFNY-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.83
Rot. Bonds2

About N-(2-bromocyclohexyl)-3-hydroxybenzamide

N-(2-bromocyclohexyl)-3-hydroxybenzamide (PubChem CID 114311869) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3-hydroxybenzamide
PubChem CID114311869
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromocyclohexyl)-3-hydroxybenzamide
SMILESO=C(NC1CCCCC1Br)c1cccc(O)c1
InChIInChI=1S/C13H16BrNO2/c14-11-6-1-2-7-12(11)15-13(17)9-4-3-5-10(16)8-9/h3-5,8,11-12,16H,1-2,6-7H2,(H,15,17)
InChIKeyXSWOBNBKFDSFNY-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
CID 107706124
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzamide
CID 54967315
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
N-(2-bromocyclohexyl)-2,6-dichlorobenzamide
CID 113275038
6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
CID 115354131
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-3-hydroxybenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-3-hydroxybenzamide (CID 114311869) is N-(2-bromocyclohexyl)-3-hydroxybenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-3-hydroxybenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-3-hydroxybenzamide is O=C(NC1CCCCC1Br)c1cccc(O)c1.
What is the InChIKey of N-(2-bromocyclohexyl)-3-hydroxybenzamide?
The InChIKey is XSWOBNBKFDSFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-11-6-1-2-7-12(11)15-13(17)9-4-3-5-10(16)8-9/h3-5,8,11-12,16H,1-2,6-7H2,(H,15,17).
What are the key properties of N-(2-bromocyclohexyl)-3-hydroxybenzamide?
N-(2-bromocyclohexyl)-3-hydroxybenzamide has a molecular weight of 298.18 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3-hydroxybenzamide is sourced from PubChem (CID 114311869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).