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

C17H20BrNO — CID 43066709

IUPAC2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESO=C(NC1CC2CC1C1CCCC21)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c18-15-7-2-1-4-13(15)17(20)19-16-9-10-8-14(16)12-6-3-5-11(10)12/h1-2,4,7,10-12,14,16H,3,5-6,8-9H2,(H,19,20)
InChIKeyAYWKANKYAPZYKU-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.00
Rot. Bonds2

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

2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (PubChem CID 43066709) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
PubChem CID43066709
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESO=C(NC1CC2CC1C1CCCC21)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c18-15-7-2-1-4-13(15)17(20)19-16-9-10-8-14(16)12-6-3-5-11(10)12/h1-2,4,7,10-12,14,16H,3,5-6,8-9H2,(H,19,20)
InChIKeyAYWKANKYAPZYKU-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 107982436
2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 50909108
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
4-acetamido-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43063071
4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43710188
N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81378144
1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739142
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide
CID 166245704

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The IUPAC name of 2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (CID 43066709) is 2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.
What is the SMILES notation for 2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The canonical SMILES for 2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is O=C(NC1CC2CC1C1CCCC21)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The InChIKey is AYWKANKYAPZYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c18-15-7-2-1-4-13(15)17(20)19-16-9-10-8-14(16)12-6-3-5-11(10)12/h1-2,4,7,10-12,14,16H,3,5-6,8-9H2,(H,19,20).
What are the key properties of 2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide has a molecular weight of 334.26 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is sourced from PubChem (CID 43066709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).