N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide

C15H20BrNO2 — CID 112752908

IUPACN-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC(CBr)C2)c(O)c1
InChIInChI=1S/C15H20BrNO2/c1-10-5-6-13(14(18)7-10)15(19)17-12-4-2-3-11(8-12)9-16/h5-7,11-12,18H,2-4,8-9H2,1H3,(H,17,19)
InChIKeyDVPIWQSRTGFACO-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.38
Rot. Bonds3

About N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide

N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide (PubChem CID 112752908) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
PubChem CID112752908
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC(CBr)C2)c(O)c1
InChIInChI=1S/C15H20BrNO2/c1-10-5-6-13(14(18)7-10)15(19)17-12-4-2-3-11(8-12)9-16/h5-7,11-12,18H,2-4,8-9H2,1H3,(H,17,19)
InChIKeyDVPIWQSRTGFACO-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.38
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-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-[3-(bromomethyl)cyclohexyl]-2,3-difluorobenzamide
CID 112752885
N-(1,1-dioxothian-3-yl)-2-hydroxy-4-methylbenzamide
CID 63921974
N-(2-cyclohexylethyl)-2-hydroxy-4-methylbenzamide
CID 63526438
2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
CID 115944312
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
CID 47114518
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide
CID 112753008
N-[3-(bromomethyl)cyclohexyl]acetamide
CID 130538222
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide (CID 112752908) is N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCC(CBr)C2)c(O)c1.
What is the InChIKey of N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is DVPIWQSRTGFACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-5-6-13(14(18)7-10)15(19)17-12-4-2-3-11(8-12)9-16/h5-7,11-12,18H,2-4,8-9H2,1H3,(H,17,19).
What are the key properties of N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide?
N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 112752908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).