N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide

C14H18BrNO2 — CID 114312067

IUPACN-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCC2Br)c1O
InChIInChI=1S/C14H18BrNO2/c1-9-5-4-6-10(13(9)17)14(18)16-12-8-3-2-7-11(12)15/h4-6,11-12,17H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyURAVXJTYEXZPGX-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.14
Rot. Bonds2

About N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide

N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide (PubChem CID 114312067) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
PubChem CID114312067
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCC2Br)c1O
InChIInChI=1S/C14H18BrNO2/c1-9-5-4-6-10(13(9)17)14(18)16-12-8-3-2-7-11(12)15/h4-6,11-12,17H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyURAVXJTYEXZPGX-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395123
5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128
N-(2-bromocyclopentyl)-2,5-dimethylbenzamide
CID 80662221
N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide
CID 80662433
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
N-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide (CID 114312067) is N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC2CCCCC2Br)c1O.
What is the InChIKey of N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is URAVXJTYEXZPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-5-4-6-10(13(9)17)14(18)16-12-8-3-2-7-11(12)15/h4-6,11-12,17H,2-3,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide?
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 312.21 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 114312067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).