5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide

C13H16BrNO3 — CID 103727506

IUPAC5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCCC1O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrNO3/c14-9-4-5-12(17)10(6-9)13(18)15-7-8-2-1-3-11(8)16/h4-6,8,11,16-17H,1-3,7H2,(H,15,18)
InChIKeyXJCUBDMMZWPVDL-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.05
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide

5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide (PubChem CID 103727506) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
PubChem CID103727506
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCCC1O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrNO3/c14-9-4-5-12(17)10(6-9)13(18)15-7-8-2-1-3-11(8)16/h4-6,8,11,16-17H,1-3,7H2,(H,15,18)
InChIKeyXJCUBDMMZWPVDL-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 107729903
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
5-bromo-2-hydroxy-N-(thian-4-ylmethyl)benzamide
CID 113235380
N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
CID 107726047
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
5-fluoro-2-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418921

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide (CID 103727506) is 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide is O=C(NCC1CCCC1O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is XJCUBDMMZWPVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-9-4-5-12(17)10(6-9)13(18)15-7-8-2-1-3-11(8)16/h4-6,8,11,16-17H,1-3,7H2,(H,15,18).
What are the key properties of 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide?
5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 314.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 103727506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).