2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate

C46H39Br5F9N11O10S2 — CID 159298264

IUPAC2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
SMILESCc1ccc(S(=O)(=O)N=c2ccc(Br)cn2CC(N)=O)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1.NC(=O)CBr.Nc1ccc(Br)cn1.O=C(Nc1cn2cc(Br)ccc2n1)C(F)(F)F.O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H14BrN3O3S.C12H11BrN2O2S.C9H5BrF3N3O.C5H5BrN2.C4F6O3.C2H4BrNO/c1-10-2-5-12(6-3-10)22(20,21)17-14-7-4-11(15)8-18(14)9-13(16)19;1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12;10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13;6-4-1-2-5(7)8-3-4;5-3(6,7)1(11)13-2(12)4(8,9)10;3-1-2(4)5/h2-8H,9H2,1H3,(H2,16,19);2-8H,1H3,(H,14,15);1-4H,(H,15,17);1-3H,(H2,7,8);;1H2,(H2,4,5)
InChIKeyLAZRTUHIMGWLTK-UHFFFAOYSA-N
MW1540.52 g/mol
LogP9.36
Rot. Bonds9

About 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate

2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate (PubChem CID 159298264) has the molecular formula C46H39Br5F9N11O10S2 and a molecular weight of 1540.52 g/mol. Its IUPAC name is 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
PubChem CID159298264
Molecular FormulaC46H39Br5F9N11O10S2
Molecular Weight1540.52 g/mol
Exact Mass1534.81
IUPAC Name2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
SMILESCc1ccc(S(=O)(=O)N=c2ccc(Br)cn2CC(N)=O)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1.NC(=O)CBr.Nc1ccc(Br)cn1.O=C(Nc1cn2cc(Br)ccc2n1)C(F)(F)F.O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H14BrN3O3S.C12H11BrN2O2S.C9H5BrF3N3O.C5H5BrN2.C4F6O3.C2H4BrNO/c1-10-2-5-12(6-3-10)22(20,21)17-14-7-4-11(15)8-18(14)9-13(16)19;1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12;10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13;6-4-1-2-5(7)8-3-4;5-3(6,7)1(11)13-2(12)4(8,9)10;3-1-2(4)5/h2-8H,9H2,1H3,(H2,16,19);2-8H,1H3,(H,14,15);1-4H,(H,15,17);1-3H,(H2,7,8);;1H2,(H2,4,5)
InChIKeyLAZRTUHIMGWLTK-UHFFFAOYSA-N
XLogP9.36
TPSA325.35 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.52
LogP ≤ 59.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate with MolForge

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Related Compounds

6-bromo-5-methylimidazo[1,2-a]pyridin-2-amine;N-(6-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[3-bromo-2-methyl-6-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromo-6-methylpyridin-2-amine;N-(5-bromo-6-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 158851662
2-bromoacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopiperidin-1-yl]acetamide;5-bromopiperidin-2-amine;6-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-amine;N-(6-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;N-(3-bromo-2,3,4,5-tetrahydropyridin-6-yl)-4-methylbenzenesulfonamide;deuterium monohydride;methane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 161682669

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The IUPAC name of 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate (CID 159298264) is 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The canonical SMILES for 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate is Cc1ccc(S(=O)(=O)N=c2ccc(Br)cn2CC(N)=O)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1.NC(=O)CBr.Nc1ccc(Br)cn1.O=C(Nc1cn2cc(Br)ccc2n1)C(F)(F)F.O=C(OC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The InChIKey is LAZRTUHIMGWLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S.C12H11BrN2O2S.C9H5BrF3N3O.C5H5BrN2.C4F6O3.C2H4BrNO/c1-10-2-5-12(6-3-10)22(20,21)17-14-7-4-11(15)8-18(14)9-13(16)19;1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12;10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13;6-4-1-2-5(7)8-3-4;5-3(6,7)1(11)13-2(12)4(8,9)10;3-1-2(4)5/h2-8H,9H2,1H3,(H2,16,19);2-8H,1H3,(H,14,15);1-4H,(H,15,17);1-3H,(H2,7,8);;1H2,(H2,4,5).
What are the key properties of 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate has a molecular weight of 1540.52 g/mol, XLogP of 9.36, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoacetamide;N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[5-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 159298264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).