2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride

C100H102Br6Cl7N19O14 — CID 158276718

About 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride

2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride (PubChem CID 158276718) has the molecular formula C100H102Br6Cl7N19O14 and a molecular weight of 2521.63 g/mol. Its IUPAC name is 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride.

Molecular Properties

• Compound Name: 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride
• PubChem CID: 158276718
• Molecular Formula: C100H102Br6Cl7N19O14
• Molecular Weight: 2521.63 g/mol
• Exact Mass: 2511.08
• IUPAC Name: 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride
• SMILES: CC1CN(C(=O)CBr)C1.CC1CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(Br)cnc32)C1.CC1CNC1.CNc1c(Br)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)C1.CNc1c(C#CCOC)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)C1.Cl.O=C(Br)CBr.O=C(NCc1ccc(Cl)cc1)c1cc2c(Cl)c(Br)cnc2[nH]c1=O
• InChI: InChI=1S/C27H28ClN5O4.C23H23BrClN5O3.C22H19BrCl2N4O3.C16H10BrCl2N3O2.C6H10BrNO.C4H9N.C2H2Br2O.ClH/c1-17-14-32(15-17)23(34)16-33-25-21(24(29-2)19(13-30-25)5-4-10-37-3)11-22(27(33)36)26(35)31-12-18-6-8-20(28)9-7-18;1-13-10-29(11-13)19(31)12-30-21-16(20(26-2)18(24)9-27-21)7-17(23(30)33)22(32)28-8-14-3-5-15(25)6-4-14;1-12-9-28(10-12)18(30)11-29-20-15(19(25)17(23)8-26-20)6-16(22(29)32)21(31)27-7-13-2-4-14(24)5-3-13;17-12-7-20-14-10(13(12)19)5-11(16(24)22-14)15(23)21-6-8-1-3-9(18)4-2-8;1-5-3-8(4-5)6(9)2-7;1-4-2-5-3-4;3-1-2(4)5;/h6-9,11,13,17H,10,12,14-16H2,1-3H3,(H,29,30)(H,31,35);3-7,9,13H,8,10-12H2,1-2H3,(H,26,27)(H,28,32);2-6,8,12H,7,9-11H2,1H3,(H,27,31);1-5,7H,6H2,(H,21,23)(H,20,22,24);5H,2-4H2,1H3;4-5H,2-3H2,1H3;1H2;1H
• InChIKey: AXNHEJKHQIDUPJ-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 410.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2521.63
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride?

The IUPAC name of 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride (CID 158276718) is 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride.

What is the SMILES notation for 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride?

The canonical SMILES for 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride is CC1CN(C(=O)CBr)C1.CC1CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(Br)cnc32)C1.CC1CNC1.CNc1c(Br)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)C1.CNc1c(C#CCOC)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)C1.Cl.O=C(Br)CBr.O=C(NCc1ccc(Cl)cc1)c1cc2c(Cl)c(Br)cnc2[nH]c1=O.

What is the InChIKey of 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride?

The InChIKey is AXNHEJKHQIDUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O4.C23H23BrClN5O3.C22H19BrCl2N4O3.C16H10BrCl2N3O2.C6H10BrNO.C4H9N.C2H2Br2O.ClH/c1-17-14-32(15-17)23(34)16-33-25-21(24(29-2)19(13-30-25)5-4-10-37-3)11-22(27(33)36)26(35)31-12-18-6-8-20(28)9-7-18;1-13-10-29(11-13)19(31)12-30-21-16(20(26-2)18(24)9-27-21)7-17(23(30)33)22(32)28-8-14-3-5-15(25)6-4-14;1-12-9-28(10-12)18(30)11-29-20-15(19(25)17(23)8-26-20)6-16(22(29)32)21(31)27-7-13-2-4-14(24)5-3-13;17-12-7-20-14-10(13(12)19)5-11(16(24)22-14)15(23)21-6-8-1-3-9(18)4-2-8;1-5-3-8(4-5)6(9)2-7;1-4-2-5-3-4;3-1-2(4)5;/h6-9,11,13,17H,10,12,14-16H2,1-3H3,(H,29,30)(H,31,35);3-7,9,13H,8,10-12H2,1-2H3,(H,26,27)(H,28,32);2-6,8,12H,7,9-11H2,1H3,(H,27,31);1-5,7H,6H2,(H,21,23)(H,20,22,24);5H,2-4H2,1H3;4-5H,2-3H2,1H3;1H2;1H.

What are the key properties of 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride?

2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride has a molecular weight of 2521.63 g/mol, XLogP of 16.37, 23 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoacetyl bromide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-methylazetidin-1-yl)ethanone;N-[(4-chlorophenyl)methyl]-6-(3-methoxyprop-1-ynyl)-5-(methylamino)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidine;hydrochloride is sourced from PubChem (CID 158276718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).