N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide

C13H16BrNO2 — CID 114311351

IUPACN-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
SMILESO=C(NC1(CBr)CCCC1)c1ccc(O)cc1
InChIInChI=1S/C13H16BrNO2/c14-9-13(7-1-2-8-13)15-12(17)10-3-5-11(16)6-4-10/h3-6,16H,1-2,7-9H2,(H,15,17)
InChIKeyRWQJTRZBDNXUMN-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.83
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide

N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide (PubChem CID 114311351) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
PubChem CID114311351
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
SMILESO=C(NC1(CBr)CCCC1)c1ccc(O)cc1
InChIInChI=1S/C13H16BrNO2/c14-9-13(7-1-2-8-13)15-12(17)10-3-5-11(16)6-4-10/h3-6,16H,1-2,7-9H2,(H,15,17)
InChIKeyRWQJTRZBDNXUMN-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461
N-[1-(bromomethyl)cyclohexyl]-4-nitrobenzamide
CID 114314124
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide
CID 104672706
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490
N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
CID 107993984
N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide
CID 107677747
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 114314181
N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726184
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide (CID 114311351) is N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide is O=C(NC1(CBr)CCCC1)c1ccc(O)cc1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide?
The InChIKey is RWQJTRZBDNXUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-9-13(7-1-2-8-13)15-12(17)10-3-5-11(16)6-4-10/h3-6,16H,1-2,7-9H2,(H,15,17).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide?
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide has a molecular weight of 298.18 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide is sourced from PubChem (CID 114311351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).