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

C15H20BrNO3 — CID 107729903

IUPAC5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCCCC1CO)c1cc(Br)ccc1O
InChIInChI=1S/C15H20BrNO3/c16-12-5-6-14(19)13(7-12)15(20)17-8-10-3-1-2-4-11(10)9-18/h5-7,10-11,18-19H,1-4,8-9H2,(H,17,20)
InChIKeyIMHRAODIIPJOCT-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.68
Rot. Bonds4

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

5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide (PubChem CID 107729903) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide
PubChem CID107729903
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCCCC1CO)c1cc(Br)ccc1O
InChIInChI=1S/C15H20BrNO3/c16-12-5-6-14(19)13(7-12)15(20)17-8-10-3-1-2-4-11(10)9-18/h5-7,10-11,18-19H,1-4,8-9H2,(H,17,20)
InChIKeyIMHRAODIIPJOCT-UHFFFAOYSA-N
XLogP2.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
CID 103727506
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
5-bromo-2-hydroxy-N-(thian-4-ylmethyl)benzamide
CID 113235380
2,5-dibromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 114021315
2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 114027684
N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
CID 107726047
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
5-bromo-N-(1,4-dithian-2-ylmethyl)-2-hydroxybenzamide
CID 103741677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide (CID 107729903) is 5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide is O=C(NCC1CCCCC1CO)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The InChIKey is IMHRAODIIPJOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-5-6-14(19)13(7-12)15(20)17-8-10-3-1-2-4-11(10)9-18/h5-7,10-11,18-19H,1-4,8-9H2,(H,17,20).
What are the key properties of 5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide?
5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide has a molecular weight of 342.23 g/mol, XLogP of 2.68, 4 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-(hydroxymethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 107729903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).