3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide

C16H18BrNO — CID 103767177

IUPAC3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
SMILESCc1c(Br)cccc1C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C16H18BrNO/c1-8-11(3-2-4-12(8)17)16(19)18-15-13-9-5-6-10(7-9)14(13)15/h2-4,9-10,13-15H,5-7H2,1H3,(H,18,19)
InChIKeyJDSNEAFGIUDJDZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.53
Rot. Bonds2

About 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide

3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide (PubChem CID 103767177) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
PubChem CID103767177
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
SMILESCc1c(Br)cccc1C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C16H18BrNO/c1-8-11(3-2-4-12(8)17)16(19)18-15-13-9-5-6-10(7-9)14(13)15/h2-4,9-10,13-15H,5-7H2,1H3,(H,18,19)
InChIKeyJDSNEAFGIUDJDZ-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The IUPAC name of 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide (CID 103767177) is 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide is Cc1c(Br)cccc1C(=O)NC1C2C3CCC(C3)C12.
What is the InChIKey of 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The InChIKey is JDSNEAFGIUDJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-8-11(3-2-4-12(8)17)16(19)18-15-13-9-5-6-10(7-9)14(13)15/h2-4,9-10,13-15H,5-7H2,1H3,(H,18,19).
What are the key properties of 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide has a molecular weight of 320.23 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide is sourced from PubChem (CID 103767177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).