3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

C18H20N2O — CID 43066723

IUPAC3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C18H20N2O/c19-10-11-3-1-4-12(7-11)18(21)20-17-9-13-8-16(17)15-6-2-5-14(13)15/h1,3-4,7,13-17H,2,5-6,8-9H2,(H,20,21)
InChIKeyLKBLYMPHWWZXOI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.11
Rot. Bonds2

About 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (PubChem CID 43066723) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
PubChem CID43066723
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C18H20N2O/c19-10-11-3-1-4-12(7-11)18(21)20-17-9-13-8-16(17)15-6-2-5-14(13)15/h1,3-4,7,13-17H,2,5-6,8-9H2,(H,20,21)
InChIKeyLKBLYMPHWWZXOI-UHFFFAOYSA-N
XLogP3.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(2-methoxycyclopentyl)benzamide
CID 62088957
3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920013
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066743
4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43710188
3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 124791514
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
CID 66210943
4-acetamido-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43063071
3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 98783757
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The IUPAC name of 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (CID 43066723) is 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.
What is the SMILES notation for 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The canonical SMILES for 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is N#Cc1cccc(C(=O)NC2CC3CC2C2CCCC32)c1.
What is the InChIKey of 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The InChIKey is LKBLYMPHWWZXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-10-11-3-1-4-12(7-11)18(21)20-17-9-13-8-16(17)15-6-2-5-14(13)15/h1,3-4,7,13-17H,2,5-6,8-9H2,(H,20,21).
What are the key properties of 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is sourced from PubChem (CID 43066723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).