N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide

C15H20BrNO3 — CID 107726103

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1cc(O)ccc1O
InChIInChI=1S/C15H20BrNO3/c16-9-15(6-2-1-3-7-15)10-17-14(20)12-8-11(18)4-5-13(12)19/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyZUPJGQXHFITOOK-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.17
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide (PubChem CID 107726103) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
PubChem CID107726103
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1cc(O)ccc1O
InChIInChI=1S/C15H20BrNO3/c16-9-15(6-2-1-3-7-15)10-17-14(20)12-8-11(18)4-5-13(12)19/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyZUPJGQXHFITOOK-UHFFFAOYSA-N
XLogP3.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
CID 106503177
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 103969819
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802
N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726184
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,3-dihydroxybenzamide
CID 114345330
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide (CID 107726103) is N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide is O=C(NCC1(CBr)CCCCC1)c1cc(O)ccc1O.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide?
The InChIKey is ZUPJGQXHFITOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-9-15(6-2-1-3-7-15)10-17-14(20)12-8-11(18)4-5-13(12)19/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide has a molecular weight of 342.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107726103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).