N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide

C13H16BrNO3 — CID 107726047

IUPACN-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCC1CCCC1Br)c1cc(O)ccc1O
InChIInChI=1S/C13H16BrNO3/c14-11-3-1-2-8(11)7-15-13(18)10-6-9(16)4-5-12(10)17/h4-6,8,11,16-17H,1-3,7H2,(H,15,18)
InChIKeyQTQKMCXLQDTIFQ-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.39
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide

N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide (PubChem CID 107726047) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
PubChem CID107726047
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCC1CCCC1Br)c1cc(O)ccc1O
InChIInChI=1S/C13H16BrNO3/c14-11-3-1-2-8(11)7-15-13(18)10-6-9(16)4-5-12(10)17/h4-6,8,11,16-17H,1-3,7H2,(H,15,18)
InChIKeyQTQKMCXLQDTIFQ-UHFFFAOYSA-N
XLogP2.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677675
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107016888
5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
CID 103727506
2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107724816
N-[(1,1-dioxothiolan-2-yl)methyl]-2,5-dihydroxybenzamide
CID 107723405
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114
5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 107729903
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 113275446
5-fluoro-2-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418921

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide (CID 107726047) is N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide is O=C(NCC1CCCC1Br)c1cc(O)ccc1O.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide?
The InChIKey is QTQKMCXLQDTIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-11-3-1-2-8(11)7-15-13(18)10-6-9(16)4-5-12(10)17/h4-6,8,11,16-17H,1-3,7H2,(H,15,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide?
N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide has a molecular weight of 314.18 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107726047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).