4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide

C14H18BrNO2 — CID 63524339

IUPAC4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C14H18BrNO2/c1-9-4-2-3-5-12(9)16-14(18)11-7-6-10(15)8-13(11)17/h6-9,12,17H,2-5H2,1H3,(H,16,18)
InChIKeyNJSKJYMQTGAXPB-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.46
Rot. Bonds2

About 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide

4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide (PubChem CID 63524339) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
PubChem CID63524339
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C14H18BrNO2/c1-9-4-2-3-5-12(9)16-14(18)11-7-6-10(15)8-13(11)17/h6-9,12,17H,2-5H2,1H3,(H,16,18)
InChIKeyNJSKJYMQTGAXPB-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
4-bromo-N-(2-methylcycloheptyl)-2-sulfanylbenzamide
CID 107031479
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
CID 25362200
4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide
CID 79878094
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
CID 81109910
3-hydroxy-2-methyl-N-(2-methylcycloheptyl)benzamide
CID 82829354
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452
2-hydroxy-N-(2-methylcyclohexyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867639
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide (CID 63524339) is 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1NC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide?
The InChIKey is NJSKJYMQTGAXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-4-2-3-5-12(9)16-14(18)11-7-6-10(15)8-13(11)17/h6-9,12,17H,2-5H2,1H3,(H,16,18).
What are the key properties of 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide?
4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 63524339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).