2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride

About 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride

2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride (PubChem CID 162008569) has the molecular formula C62H65BBr4Cl3F3N10O8 and a molecular weight of 1572.04 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride.

Molecular Properties

Compound Name	2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride
PubChem CID	162008569
Molecular Formula	C62H65BBr4Cl3F3N10O8
Molecular Weight	1572.04 g/mol
Exact Mass	1566.08
IUPAC Name	2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride
SMILES	COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Cl.Cl.Fc1c(Br)cccc1-c1cn2c(n1)OCCC2.Fc1c(Br)cccc1-c1cn2c(n1)OCCC2.NC1=NCCCO1.NCCCCl.O=C(CBr)c1cccc(Br)c1F
InChI	InChI=1S/C23H22BN3O4.2C12H10BrFN2O.C8H5Br2FO.C4H8N2O.C3H8ClN.2ClH/c1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;213-9-4-1-3-8(11(9)14)10-7-16-5-2-6-17-12(16)15-10;9-4-7(12)5-2-1-3-6(10)8(5)11;5-4-6-2-1-3-7-4;4-2-1-3-5;;/h2-13,26,29-30H,14-15H2,1H3;21,3-4,7H,2,5-6H2;1-3H,4H2;1-3H2,(H2,5,6);1-3,5H2;2*1H
InChIKey	MEVBBTINEPHQOF-UHFFFAOYSA-N
XLogP	13.01
TPSA	243.48 Å²
H-Bond Donors	5
H-Bond Acceptors	17
Rotatable Bonds	13
Heavy Atoms	91
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1572.04
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride?

The IUPAC name of 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride (CID 162008569) is 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride.

What is the SMILES notation for 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride?

The canonical SMILES for 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Cl.Cl.Fc1c(Br)cccc1-c1cn2c(n1)OCCC2.Fc1c(Br)cccc1-c1cn2c(n1)OCCC2.NC1=NCCCO1.NCCCCl.O=C(CBr)c1cccc(Br)c1F.

What is the InChIKey of 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride?

The InChIKey is MEVBBTINEPHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BN3O4.2C12H10BrFN2O.C8H5Br2FO.C4H8N2O.C3H8ClN.2ClH/c1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;2*13-9-4-1-3-8(11(9)14)10-7-16-5-2-6-17-12(16)15-10;9-4-7(12)5-2-1-3-6(10)8(5)11;5-4-6-2-1-3-7-4;4-2-1-3-5;;/h2-13,26,29-30H,14-15H2,1H3;2*1,3-4,7H,2,5-6H2;1-3H,4H2;1-3H2,(H2,5,6);1-3,5H2;2*1H.

What are the key properties of 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride?

Where does this data come from?

All data for 2-bromo-1-(3-bromo-2-fluorophenyl)ethanone;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine);3-chloropropan-1-amine;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;5,6-dihydro-4H-1,3-oxazin-2-amine;dihydrochloride is sourced from PubChem (CID 162008569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).