N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C20H20N2O2 — CID 2947102

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NC1CC2CCC1C2
InChIInChI=1S/C20H20N2O2/c23-18(21-16-10-12-7-8-14(16)9-12)11-22-17-6-2-4-13-3-1-5-15(19(13)17)20(22)24/h1-6,12,14,16H,7-11H2,(H,21,23)
InChIKeyXPRKLRRZRRYZIW-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.10
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 2947102) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID2947102
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NC1CC2CCC1C2
InChIInChI=1S/C20H20N2O2/c23-18(21-16-10-12-7-8-14(16)9-12)11-22-17-6-2-4-13-3-1-5-15(19(13)17)20(22)24/h1-6,12,14,16H,7-11H2,(H,21,23)
InChIKeyXPRKLRRZRRYZIW-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 7894076
N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 42883537
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7894058
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 23328189
N-(2-bicyclo[2.2.1]heptanyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2947228
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide
CID 1091802
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 129376007
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 124546527

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 2947102) is N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is O=C(CN1C(=O)c2cccc3cccc1c23)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is XPRKLRRZRRYZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-18(21-16-10-12-7-8-14(16)9-12)11-22-17-6-2-4-13-3-1-5-15(19(13)17)20(22)24/h1-6,12,14,16H,7-11H2,(H,21,23).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 2947102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).