2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

C18H22BrNO — CID 107982436

IUPAC2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESCc1cccc(C(=O)NC2CC3CC2C2CCCC32)c1Br
InChIInChI=1S/C18H22BrNO/c1-10-4-2-7-14(17(10)19)18(21)20-16-9-11-8-15(16)13-6-3-5-12(11)13/h2,4,7,11-13,15-16H,3,5-6,8-9H2,1H3,(H,20,21)
InChIKeyJENKMCGPQSOURM-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.31
Rot. Bonds2

About 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (PubChem CID 107982436) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
PubChem CID107982436
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESCc1cccc(C(=O)NC2CC3CC2C2CCCC32)c1Br
InChIInChI=1S/C18H22BrNO/c1-10-4-2-7-14(17(10)19)18(21)20-16-9-11-8-15(16)13-6-3-5-12(11)13/h2,4,7,11-13,15-16H,3,5-6,8-9H2,1H3,(H,20,21)
InChIKeyJENKMCGPQSOURM-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (CID 107982436) is 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is Cc1cccc(C(=O)NC2CC3CC2C2CCCC32)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The InChIKey is JENKMCGPQSOURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-10-4-2-7-14(17(10)19)18(21)20-16-9-11-8-15(16)13-6-3-5-12(11)13/h2,4,7,11-13,15-16H,3,5-6,8-9H2,1H3,(H,20,21).
What are the key properties of 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide has a molecular weight of 348.28 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is sourced from PubChem (CID 107982436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).