N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide

C14H18BrNO2 — CID 114148036

IUPACN-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCC1CCC(Br)CC1)c1ccccc1O
InChIInChI=1S/C14H18BrNO2/c15-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)17/h1-4,10-11,17H,5-9H2,(H,16,18)
InChIKeyQEIRWXYUOSFYBX-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.08
Rot. Bonds3

About N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide

N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide (PubChem CID 114148036) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
PubChem CID114148036
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCC1CCC(Br)CC1)c1ccccc1O
InChIInChI=1S/C14H18BrNO2/c15-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)17/h1-4,10-11,17H,5-9H2,(H,16,18)
InChIKeyQEIRWXYUOSFYBX-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.08
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-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
2-hydroxy-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008147
N-[(4-bromocyclohexyl)methyl]quinoline-4-carboxamide
CID 106134702
N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 114148107
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
N-(cyclopropylmethyl)-2-sulfamoylbenzamide
CID 43164725
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide (CID 114148036) is N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide is O=C(NCC1CCC(Br)CC1)c1ccccc1O.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide?
The InChIKey is QEIRWXYUOSFYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)17/h1-4,10-11,17H,5-9H2,(H,16,18).
What are the key properties of N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide?
N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide has a molecular weight of 312.21 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 114148036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).