2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide

C25H26Br2N2O3 — CID 133194715

About 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 133194715) has the molecular formula C25H26Br2N2O3 and a molecular weight of 562.30 g/mol. Its IUPAC name is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide
• PubChem CID: 133194715
• Molecular Formula: C25H26Br2N2O3
• Molecular Weight: 562.30 g/mol
• Exact Mass: 560.03
• IUPAC Name: 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide
• SMILES: CC(C)NC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)COc1ccc2ccccc2c1Br
• InChI: InChI=1S/C25H26Br2N2O3/c1-16(2)28-25(31)17(3)29(14-18-7-6-9-20(26)13-18)23(30)15-32-22-12-11-19-8-4-5-10-21(19)24(22)27/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)
• InChIKey: QIDRMFMDJVUOOJ-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.30
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide?

The IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 133194715) is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)COc1ccc2ccccc2c1Br.

What is the InChIKey of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide?

The InChIKey is QIDRMFMDJVUOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Br2N2O3/c1-16(2)28-25(31)17(3)29(14-18-7-6-9-20(26)13-18)23(30)15-32-22-12-11-19-8-4-5-10-21(19)24(22)27/h4-13,16-17H,14-15H2,1-3H3,(H,28,31).

What are the key properties of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide?

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 562.30 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 133194715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).