3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

C17H19BrN2O2 — CID 155196233

IUPAC3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESCC1(C)C2C=CC1C(C(=O)Nc1ccc(Br)cc1)C2C(N)=O
InChIInChI=1S/C17H19BrN2O2/c1-17(2)11-7-8-12(17)14(13(11)15(19)21)16(22)20-10-5-3-9(18)4-6-10/h3-8,11-14H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyUEMUHMBPCCBXIW-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.95
Rot. Bonds3

About 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (PubChem CID 155196233) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
PubChem CID155196233
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESCC1(C)C2C=CC1C(C(=O)Nc1ccc(Br)cc1)C2C(N)=O
InChIInChI=1S/C17H19BrN2O2/c1-17(2)11-7-8-12(17)14(13(11)15(19)21)16(22)20-10-5-3-9(18)4-6-10/h3-8,11-14H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyUEMUHMBPCCBXIW-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The IUPAC name of 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (CID 155196233) is 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The canonical SMILES for 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is CC1(C)C2C=CC1C(C(=O)Nc1ccc(Br)cc1)C2C(N)=O.
What is the InChIKey of 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The InChIKey is UEMUHMBPCCBXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-17(2)11-7-8-12(17)14(13(11)15(19)21)16(22)20-10-5-3-9(18)4-6-10/h3-8,11-14H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is sourced from PubChem (CID 155196233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).