N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide

C15H20BrNO3 — CID 115364295

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CBr)CCCC2)c(O)c1
InChIInChI=1S/C15H20BrNO3/c1-20-11-4-5-12(13(18)8-11)14(19)17-10-15(9-16)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyHMYBXGWDCNGRHT-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.09
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 115364295) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
PubChem CID115364295
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CBr)CCCC2)c(O)c1
InChIInChI=1S/C15H20BrNO3/c1-20-11-4-5-12(13(18)8-11)14(19)17-10-15(9-16)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyHMYBXGWDCNGRHT-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.09
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)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 103969819
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
2-hydroxy-4-methoxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761721
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
CID 106503177
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide (CID 115364295) is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC2(CBr)CCCC2)c(O)c1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is HMYBXGWDCNGRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-20-11-4-5-12(13(18)8-11)14(19)17-10-15(9-16)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 342.23 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 115364295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).