N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide

C14H18BrNO2 — CID 106367295

IUPACN-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
SMILESO=C(NC1CCCCC1CBr)c1cccc(O)c1
InChIInChI=1S/C14H18BrNO2/c15-9-11-4-1-2-7-13(11)16-14(18)10-5-3-6-12(17)8-10/h3,5-6,8,11,13,17H,1-2,4,7,9H2,(H,16,18)
InChIKeyVNKDDTHSGAVXIH-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.08
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide

N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide (PubChem CID 106367295) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
PubChem CID106367295
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
SMILESO=C(NC1CCCCC1CBr)c1cccc(O)c1
InChIInChI=1S/C14H18BrNO2/c15-9-11-4-1-2-7-13(11)16-14(18)10-5-3-6-12(17)8-10/h3,5-6,8,11,13,17H,1-2,4,7,9H2,(H,16,18)
InChIKeyVNKDDTHSGAVXIH-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-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
CID 106367206
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide (CID 106367295) is N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide is O=C(NC1CCCCC1CBr)c1cccc(O)c1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide?
The InChIKey is VNKDDTHSGAVXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-9-11-4-1-2-7-13(11)16-14(18)10-5-3-6-12(17)8-10/h3,5-6,8,11,13,17H,1-2,4,7,9H2,(H,16,18).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide?
N-[2-(bromomethyl)cyclohexyl]-3-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-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide is sourced from PubChem (CID 106367295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).