N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide

C17H22Br2N2O3 — CID 3534274

IUPACN-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide
SMILESO=C(CN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)NC1CCCCC1
InChIInChI=1S/C17H22Br2N2O3/c18-14-9-6-10(15(14)19)13-12(9)16(23)21(17(13)24)7-11(22)20-8-4-2-1-3-5-8/h8-10,12-15H,1-7H2,(H,20,22)
InChIKeyPZHVKRRUBQELHG-UHFFFAOYSA-N
MW462.18 g/mol
LogP2.21
Rot. Bonds3

About N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide

N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide (PubChem CID 3534274) has the molecular formula C17H22Br2N2O3 and a molecular weight of 462.18 g/mol. Its IUPAC name is N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide
PubChem CID3534274
Molecular FormulaC17H22Br2N2O3
Molecular Weight462.18 g/mol
Exact Mass460.00
IUPAC NameN-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide
SMILESO=C(CN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)NC1CCCCC1
InChIInChI=1S/C17H22Br2N2O3/c18-14-9-6-10(15(14)19)13-12(9)16(23)21(17(13)24)7-11(22)20-8-4-2-1-3-5-8/h8-10,12-15H,1-7H2,(H,20,22)
InChIKeyPZHVKRRUBQELHG-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetamide
CID 1216809
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148325
[2-(cycloheptylamino)-2-oxoethyl] 2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98362648
N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide
CID 71882417
N-(cyclooctylmethyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98284387
2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
CID 43255031
4-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119230156
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 2708167
N-cyclohexyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022438
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide
CID 119428298

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide (CID 3534274) is N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide is O=C(CN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide?
The InChIKey is PZHVKRRUBQELHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Br2N2O3/c18-14-9-6-10(15(14)19)13-12(9)16(23)21(17(13)24)7-11(22)20-8-4-2-1-3-5-8/h8-10,12-15H,1-7H2,(H,20,22).
What are the key properties of N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide?
N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide has a molecular weight of 462.18 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide is sourced from PubChem (CID 3534274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).