4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

C15H20BrNO3 — CID 62527563

IUPAC4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(Br)cc2O)C1
InChIInChI=1S/C15H20BrNO3/c1-10-3-2-6-15(8-10,9-18)17-14(20)12-5-4-11(16)7-13(12)19/h4-5,7,10,18-19H,2-3,6,8-9H2,1H3,(H,17,20)
InChIKeyKRAIVAFVRWGHEV-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.83
Rot. Bonds3

About 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (PubChem CID 62527563) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
PubChem CID62527563
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(Br)cc2O)C1
InChIInChI=1S/C15H20BrNO3/c1-10-3-2-6-15(8-10,9-18)17-14(20)12-5-4-11(16)7-13(12)19/h4-5,7,10,18-19H,2-3,6,8-9H2,1H3,(H,17,20)
InChIKeyKRAIVAFVRWGHEV-UHFFFAOYSA-N
XLogP2.83
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63754048
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62526326
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 62525276

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (CID 62527563) is 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is CC1CCCC(CO)(NC(=O)c2ccc(Br)cc2O)C1.
What is the InChIKey of 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The InChIKey is KRAIVAFVRWGHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-10-3-2-6-15(8-10,9-18)17-14(20)12-5-4-11(16)7-13(12)19/h4-5,7,10,18-19H,2-3,6,8-9H2,1H3,(H,17,20).
What are the key properties of 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide has a molecular weight of 342.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 62527563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).