5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide

C16H22BrNO — CID 892237

IUPAC5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide
SMILESCc1c(Br)cc(C(=O)NC2CCCCC2)c(C)c1C
InChIInChI=1S/C16H22BrNO/c1-10-11(2)14(9-15(17)12(10)3)16(19)18-13-7-5-4-6-8-13/h9,13H,4-8H2,1-3H3,(H,18,19)
InChIKeyDIQAXSYTRUBCEE-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.44
Rot. Bonds2

About 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide

5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide (PubChem CID 892237) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide
PubChem CID892237
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide
SMILESCc1c(Br)cc(C(=O)NC2CCCCC2)c(C)c1C
InChIInChI=1S/C16H22BrNO/c1-10-11(2)14(9-15(17)12(10)3)16(19)18-13-7-5-4-6-8-13/h9,13H,4-8H2,1-3H3,(H,18,19)
InChIKeyDIQAXSYTRUBCEE-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide?
The IUPAC name of 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide (CID 892237) is 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide is Cc1c(Br)cc(C(=O)NC2CCCCC2)c(C)c1C.
What is the InChIKey of 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide?
The InChIKey is DIQAXSYTRUBCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-10-11(2)14(9-15(17)12(10)3)16(19)18-13-7-5-4-6-8-13/h9,13H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide?
5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide has a molecular weight of 324.26 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-2,3,4-trimethylbenzamide is sourced from PubChem (CID 892237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).