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

C14H18BrNO3 — CID 114311329

IUPACN-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CBr)CCCC2)c(O)c1
InChIInChI=1S/C14H18BrNO3/c1-19-10-4-5-11(12(17)8-10)13(18)16-14(9-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyWHIFCLUTPZLWRP-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.84
Rot. Bonds4

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

N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 114311329) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
PubChem CID114311329
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CBr)CCCC2)c(O)c1
InChIInChI=1S/C14H18BrNO3/c1-19-10-4-5-11(12(17)8-10)13(18)16-14(9-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyWHIFCLUTPZLWRP-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 114303332
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 113346628
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 63767056
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
N-[4-(bromomethyl)oxan-4-yl]-2,5-dimethoxybenzamide
CID 106304782
N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726184
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64671810

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide (CID 114311329) is N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC2(CBr)CCCC2)c(O)c1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is WHIFCLUTPZLWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-19-10-4-5-11(12(17)8-10)13(18)16-14(9-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,16,18).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide?
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114311329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).