5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide

C14H18BrNO2 — CID 107729723

IUPAC5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2cc(Br)ccc2O)CCCCC1
InChIInChI=1S/C14H18BrNO2/c1-14(7-3-2-4-8-14)16-13(18)11-9-10(15)5-6-12(11)17/h5-6,9,17H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyIRMIUKWCHWJPRX-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.61
Rot. Bonds2

About 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide

5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide (PubChem CID 107729723) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
PubChem CID107729723
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2cc(Br)ccc2O)CCCCC1
InChIInChI=1S/C14H18BrNO2/c1-14(7-3-2-4-8-14)16-13(18)11-9-10(15)5-6-12(11)17/h5-6,9,17H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyIRMIUKWCHWJPRX-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(1-methylcyclopentyl)-2-sulfanylbenzamide
CID 107023881
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
2-hydroxy-5-iodo-N-(1-methylcyclobutyl)benzamide
CID 103525844
2-hydroxy-4-methyl-N-(1-methylcyclohexyl)benzamide
CID 61216850
5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide
CID 107730507
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
CID 80972166
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 55042048
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 62174416

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide (CID 107729723) is 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide is CC1(NC(=O)c2cc(Br)ccc2O)CCCCC1.
What is the InChIKey of 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide?
The InChIKey is IRMIUKWCHWJPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(7-3-2-4-8-14)16-13(18)11-9-10(15)5-6-12(11)17/h5-6,9,17H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide?
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide is sourced from PubChem (CID 107729723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).