N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide

C16H22BrNO3 — CID 103969819

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2(CBr)CCCCC2)c1
InChIInChI=1S/C16H22BrNO3/c1-21-12-5-6-14(19)13(9-12)15(20)18-11-16(10-17)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyRXPVAWCLAZLYBT-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.48
Rot. Bonds5

About N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 103969819) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
PubChem CID103969819
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2(CBr)CCCCC2)c1
InChIInChI=1S/C16H22BrNO3/c1-21-12-5-6-14(19)13(9-12)15(20)18-11-16(10-17)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyRXPVAWCLAZLYBT-UHFFFAOYSA-N
XLogP3.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 105418472
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
CID 106503177
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide (CID 103969819) is N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCC2(CBr)CCCCC2)c1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is RXPVAWCLAZLYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-21-12-5-6-14(19)13(9-12)15(20)18-11-16(10-17)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 356.26 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 103969819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).