N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

C19H18BrN3O — CID 53140334

About N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (PubChem CID 53140334) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.

Molecular Properties

• Compound Name: N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
• PubChem CID: 53140334
• Molecular Formula: C19H18BrN3O
• Molecular Weight: 384.28 g/mol
• Exact Mass: 383.06
• IUPAC Name: N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
• SMILES: Cn1cc2c3c(cccc31)CN(C(=O)Nc1ccccc1Br)CC2
• InChI: InChI=1S/C19H18BrN3O/c1-22-11-14-9-10-23(12-13-5-4-8-17(22)18(13)14)19(24)21-16-7-3-2-6-15(16)20/h2-8,11H,9-10,12H2,1H3,(H,21,24)
• InChIKey: PNTXQHPLERTGDA-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.28
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

The IUPAC name of N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (CID 53140334) is N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.

What is the SMILES notation for N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

The canonical SMILES for N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is Cn1cc2c3c(cccc31)CN(C(=O)Nc1ccccc1Br)CC2.

What is the InChIKey of N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

The InChIKey is PNTXQHPLERTGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-22-11-14-9-10-23(12-13-5-4-8-17(22)18(13)14)19(24)21-16-7-3-2-6-15(16)20/h2-8,11H,9-10,12H2,1H3,(H,21,24).

What are the key properties of N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide has a molecular weight of 384.28 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is sourced from PubChem (CID 53140334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).