N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

C18H21BrN2O3 — CID 19241341

IUPACN-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC12CCC(C(=O)N(CC(=O)Nc3cccc(Br)c3)C1=O)C2(C)C
InChIInChI=1S/C18H21BrN2O3/c1-17(2)13-7-8-18(17,3)16(24)21(15(13)23)10-14(22)20-12-6-4-5-11(19)9-12/h4-6,9,13H,7-8,10H2,1-3H3,(H,20,22)
InChIKeyQMKJVUYASUNJST-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.20
Rot. Bonds3

About N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 19241341) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID19241341
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC NameN-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC12CCC(C(=O)N(CC(=O)Nc3cccc(Br)c3)C1=O)C2(C)C
InChIInChI=1S/C18H21BrN2O3/c1-17(2)13-7-8-18(17,3)16(24)21(15(13)23)10-14(22)20-12-6-4-5-11(19)9-12/h4-6,9,13H,7-8,10H2,1-3H3,(H,20,22)
InChIKeyQMKJVUYASUNJST-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241339
N-(4-nitrophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241390
N-(4-bromo-2-methylphenyl)-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242119
N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241385
N-(2-methyl-4-nitrophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241398
N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
CID 63602299
N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014767
N-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
N-[(2S)-4-(4-fluorophenyl)butan-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 51591751
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242040

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 19241341) is N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is CC12CCC(C(=O)N(CC(=O)Nc3cccc(Br)c3)C1=O)C2(C)C.
What is the InChIKey of N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is QMKJVUYASUNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-17(2)13-7-8-18(17,3)16(24)21(15(13)23)10-14(22)20-12-6-4-5-11(19)9-12/h4-6,9,13H,7-8,10H2,1-3H3,(H,20,22).
What are the key properties of N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 393.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 19241341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).