bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide

C68H84Br5Cl10N3O6 — CID 158016028

About bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide

bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide (PubChem CID 158016028) has the molecular formula C68H84Br5Cl10N3O6 and a molecular weight of 1793.48 g/mol. Its IUPAC name is bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide.

Molecular Properties

• Compound Name: bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide
• PubChem CID: 158016028
• Molecular Formula: C68H84Br5Cl10N3O6
• Molecular Weight: 1793.48 g/mol
• Exact Mass: 1782.92
• IUPAC Name: bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide
• SMILES: BrBr.CC(Br)C(=O)c1cccc(Cl)c1.CC(Br)C(=O)c1cccc(Cl)c1.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.CC([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1.CCC(=O)c1cccc(Cl)c1.ClCCl.ClCCl.[Br-]
• InChI: InChI=1S/3C13H18ClNO.2C9H8BrClO.C9H9ClO.2CH2Cl2.Br2.BrH/c3*1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;2*1-6(10)9(12)7-3-2-4-8(11)5-7;1-2-9(11)7-4-3-5-8(10)6-7;2*2-1-3;1-2;/h3*5-9,15H,1-4H3;2*2-6H,1H3;3-6H,2H2,1H3;2*1H2;;1H
• InChIKey: DNMBKEBIFNQQTJ-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 143.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1793.48
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide?

The IUPAC name of bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide (CID 158016028) is bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide.

What is the SMILES notation for bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide?

The canonical SMILES for bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide is BrBr.CC(Br)C(=O)c1cccc(Cl)c1.CC(Br)C(=O)c1cccc(Cl)c1.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.CC([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1.CCC(=O)c1cccc(Cl)c1.ClCCl.ClCCl.[Br-].

What is the InChIKey of bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide?

The InChIKey is DNMBKEBIFNQQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H18ClNO.2C9H8BrClO.C9H9ClO.2CH2Cl2.Br2.BrH/c3*1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;2*1-6(10)9(12)7-3-2-4-8(11)5-7;1-2-9(11)7-4-3-5-8(10)6-7;2*2-1-3;1-2;/h3*5-9,15H,1-4H3;2*2-6H,1H3;3-6H,2H2,1H3;2*1H2;;1H.

What are the key properties of bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide?

bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide has a molecular weight of 1793.48 g/mol, XLogP of 19.95, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide is sourced from PubChem (CID 158016028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).