2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide

C13H15Br2NO2 — CID 114372464

IUPAC2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCC1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2NO2/c14-9-3-4-11(15)10(7-9)12(17)16-8-13(18)5-1-2-6-13/h3-4,7,18H,1-2,5-6,8H2,(H,16,17)
InChIKeyJSWKKXXVGXWDGU-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.25
Rot. Bonds3

About 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide

2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide (PubChem CID 114372464) has the molecular formula C13H15Br2NO2 and a molecular weight of 377.08 g/mol. Its IUPAC name is 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
PubChem CID114372464
Molecular FormulaC13H15Br2NO2
Molecular Weight377.08 g/mol
Exact Mass374.95
IUPAC Name2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCC1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2NO2/c14-9-3-4-11(15)10(7-9)12(17)16-8-13(18)5-1-2-6-13/h3-4,7,18H,1-2,5-6,8H2,(H,16,17)
InChIKeyJSWKKXXVGXWDGU-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925298
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114193980
2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107941305
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide (CID 114372464) is 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide is O=C(NCC1(O)CCCC1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is JSWKKXXVGXWDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2/c14-9-3-4-11(15)10(7-9)12(17)16-8-13(18)5-1-2-6-13/h3-4,7,18H,1-2,5-6,8H2,(H,16,17).
What are the key properties of 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide?
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 377.08 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 114372464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).