4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide

C15H20BrNO2 — CID 155777509

IUPAC4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1)C1CCC(C)(O)CC1
InChIInChI=1S/C15H20BrNO2/c1-15(19)9-7-13(8-10-15)17(2)14(18)11-3-5-12(16)6-4-11/h3-6,13,19H,7-10H2,1-2H3
InChIKeyDGHIVDRFLOMEBA-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.21
Rot. Bonds2

About 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide

4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide (PubChem CID 155777509) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide
PubChem CID155777509
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1)C1CCC(C)(O)CC1
InChIInChI=1S/C15H20BrNO2/c1-15(19)9-7-13(8-10-15)17(2)14(18)11-3-5-12(16)6-4-11/h3-6,13,19H,7-10H2,1-2H3
InChIKeyDGHIVDRFLOMEBA-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84607748
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CID 25103069
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
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4-bromo-N-(4,4-dimethylcyclohexyl)-N-methyl-2-sulfanylbenzamide
CID 107032506
N-(4-hydroxy-4-methylcyclohexyl)-N-methylacetamide
CID 167220472
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
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N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
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CID 112811303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide?
The IUPAC name of 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide (CID 155777509) is 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide is CN(C(=O)c1ccc(Br)cc1)C1CCC(C)(O)CC1.
What is the InChIKey of 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide?
The InChIKey is DGHIVDRFLOMEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(19)9-7-13(8-10-15)17(2)14(18)11-3-5-12(16)6-4-11/h3-6,13,19H,7-10H2,1-2H3.
What are the key properties of 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide?
4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide is sourced from PubChem (CID 155777509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).