N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide

C14H18BrNO3 — CID 114313727

IUPACN-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC2Br)c(O)c1
InChIInChI=1S/C14H18BrNO3/c1-19-10-5-6-11(13(17)7-10)14(18)16-8-9-3-2-4-12(9)15/h5-7,9,12,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyZBTNUTRQMBRCHY-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.69
Rot. Bonds4

About N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide

N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 114313727) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
PubChem CID114313727
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC2Br)c(O)c1
InChIInChI=1S/C14H18BrNO3/c1-19-10-5-6-11(13(17)7-10)14(18)16-8-9-3-2-4-12(9)15/h5-7,9,12,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyZBTNUTRQMBRCHY-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.69
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-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114301418
N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107016888
N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
CID 107726047
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 82732421
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677675
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxy-4-methoxybenzamide
CID 63316349
N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
CID 114313919
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide (CID 114313727) is N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCC2Br)c(O)c1.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is ZBTNUTRQMBRCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-19-10-5-6-11(13(17)7-10)14(18)16-8-9-3-2-4-12(9)15/h5-7,9,12,17H,2-4,8H2,1H3,(H,16,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide?
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114313727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).