magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide

C58H42Br7ClMgN6O2 — CID 161011105

IUPACmagnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide
SMILESCc1[c-]c(C)ccc1.Cc1cccc(C)c1-c1nc(-c2cccc(Br)c2)nc2ccc(Br)cc12.O=C(Cl)c1cccc(Br)c1.[Br-].[C-]#[N+]c1cc(Br)ccc1N.[C-]#[N+]c1cc(Br)ccc1NC(=O)c1cccc(Br)c1.[Mg+2]
InChIInChI=1S/C22H16Br2N2.C14H8Br2N2O.C8H9.C7H4BrClO.C7H5BrN2.BrH.Mg/c1-13-5-3-6-14(2)20(13)21-18-12-17(24)9-10-19(18)25-22(26-21)15-7-4-8-16(23)11-15;1-17-13-8-11(16)5-6-12(13)18-14(19)9-3-2-4-10(15)7-9;1-7-4-3-5-8(2)6-7;8-6-3-1-2-5(4-6)7(9)10;1-10-7-4-5(8)2-3-6(7)9;;/h3-12H,1-2H3;2-8H,(H,18,19);3-5H,1-2H3;1-4H;2-4H,9H2;1H;/q;;-1;;;;+2/p-1
InChIKeySOOFPTKBEZCNTK-UHFFFAOYSA-M
MW1474.10 g/mol
LogP16.26
Rot. Bonds5

About magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide

magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide (PubChem CID 161011105) has the molecular formula C58H42Br7ClMgN6O2 and a molecular weight of 1474.10 g/mol. Its IUPAC name is magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide
PubChem CID161011105
Molecular FormulaC58H42Br7ClMgN6O2
Molecular Weight1474.10 g/mol
Exact Mass1465.72
IUPAC Namemagnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide
SMILESCc1[c-]c(C)ccc1.Cc1cccc(C)c1-c1nc(-c2cccc(Br)c2)nc2ccc(Br)cc12.O=C(Cl)c1cccc(Br)c1.[Br-].[C-]#[N+]c1cc(Br)ccc1N.[C-]#[N+]c1cc(Br)ccc1NC(=O)c1cccc(Br)c1.[Mg+2]
InChIInChI=1S/C22H16Br2N2.C14H8Br2N2O.C8H9.C7H4BrClO.C7H5BrN2.BrH.Mg/c1-13-5-3-6-14(2)20(13)21-18-12-17(24)9-10-19(18)25-22(26-21)15-7-4-8-16(23)11-15;1-17-13-8-11(16)5-6-12(13)18-14(19)9-3-2-4-10(15)7-9;1-7-4-3-5-8(2)6-7;8-6-3-1-2-5(4-6)7(9)10;1-10-7-4-5(8)2-3-6(7)9;;/h3-12H,1-2H3;2-8H,(H,18,19);3-5H,1-2H3;1-4H;2-4H,9H2;1H;/q;;-1;;;;+2/p-1
InChIKeySOOFPTKBEZCNTK-UHFFFAOYSA-M
XLogP16.26
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001474.10
LogP ≤ 516.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide with MolForge

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Related Compounds

6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline
CID 122600310
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide
CID 91624677
N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide
CID 39849351
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
CID 4276068
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-methylbenzoic acid
CID 118947974
N-[4-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-bromobenzamide
CID 1048662
6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 163338403
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
CID 43347143

Frequently Asked Questions

What is the IUPAC name of magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide?
The IUPAC name of magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide (CID 161011105) is magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide.
What is the SMILES notation for magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide?
The canonical SMILES for magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide is Cc1[c-]c(C)ccc1.Cc1cccc(C)c1-c1nc(-c2cccc(Br)c2)nc2ccc(Br)cc12.O=C(Cl)c1cccc(Br)c1.[Br-].[C-]#[N+]c1cc(Br)ccc1N.[C-]#[N+]c1cc(Br)ccc1NC(=O)c1cccc(Br)c1.[Mg+2].
What is the InChIKey of magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide?
The InChIKey is SOOFPTKBEZCNTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H16Br2N2.C14H8Br2N2O.C8H9.C7H4BrClO.C7H5BrN2.BrH.Mg/c1-13-5-3-6-14(2)20(13)21-18-12-17(24)9-10-19(18)25-22(26-21)15-7-4-8-16(23)11-15;1-17-13-8-11(16)5-6-12(13)18-14(19)9-3-2-4-10(15)7-9;1-7-4-3-5-8(2)6-7;8-6-3-1-2-5(4-6)7(9)10;1-10-7-4-5(8)2-3-6(7)9;;/h3-12H,1-2H3;2-8H,(H,18,19);3-5H,1-2H3;1-4H;2-4H,9H2;1H;/q;;-1;;;;+2/p-1.
What are the key properties of magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide?
magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide has a molecular weight of 1474.10 g/mol, XLogP of 16.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide is sourced from PubChem (CID 161011105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).