2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide

C15H11Br2N3O4 — CID 41270248

IUPAC2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2N3O4/c16-11-3-1-10(2-4-11)8-18-19-15(21)9-24-14-6-5-12(17)7-13(14)20(22)23/h1-8H,9H2,(H,19,21)/b18-8-
InChIKeyLNEGHSRPGFYLOD-LSCVHKIXSA-N
MW457.08 g/mol
LogP3.65
Rot. Bonds6

About 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide

2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide (PubChem CID 41270248) has the molecular formula C15H11Br2N3O4 and a molecular weight of 457.08 g/mol. Its IUPAC name is 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
PubChem CID41270248
Molecular FormulaC15H11Br2N3O4
Molecular Weight457.08 g/mol
Exact Mass454.91
IUPAC Name2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2N3O4/c16-11-3-1-10(2-4-11)8-18-19-15(21)9-24-14-6-5-12(17)7-13(14)20(22)23/h1-8H,9H2,(H,19,21)/b18-8-
InChIKeyLNEGHSRPGFYLOD-LSCVHKIXSA-N
XLogP3.65
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.08
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 136802325
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077
2-(4-bromo-2-nitrophenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
CID 2179743
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 19189602
2-(4-bromo-2-nitrophenoxy)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1381696
2-(4-bromo-2-nitrophenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135613874
[4-bromo-2-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6065706
2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 5089749
2-(2-bromo-4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 6875539
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3358158
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 41301188
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 135628792

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide (CID 41270248) is 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is O=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C\c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide?
The InChIKey is LNEGHSRPGFYLOD-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H11Br2N3O4/c16-11-3-1-10(2-4-11)8-18-19-15(21)9-24-14-6-5-12(17)7-13(14)20(22)23/h1-8H,9H2,(H,19,21)/b18-8-.
What are the key properties of 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide?
2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide has a molecular weight of 457.08 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is sourced from PubChem (CID 41270248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).