2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide

C10H9Br3N2O4 — CID 158137216

IUPAC2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
SMILESO=C(Br)CBr.O=C(CBr)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrN2O3.C2H2Br2O/c9-5-8(12)10-6-3-1-2-4-7(6)11(13)14;3-1-2(4)5/h1-4H,5H2,(H,10,12);1H2
InChIKeyFTMIFEHTZBSWRI-UHFFFAOYSA-N
MW460.90 g/mol
LogP3.23
Rot. Bonds4

About 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide

2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide (PubChem CID 158137216) has the molecular formula C10H9Br3N2O4 and a molecular weight of 460.90 g/mol. Its IUPAC name is 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
PubChem CID158137216
Molecular FormulaC10H9Br3N2O4
Molecular Weight460.90 g/mol
Exact Mass457.81
IUPAC Name2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
SMILESO=C(Br)CBr.O=C(CBr)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrN2O3.C2H2Br2O/c9-5-8(12)10-6-3-1-2-4-7(6)11(13)14;3-1-2(4)5/h1-4H,5H2,(H,10,12);1H2
InChIKeyFTMIFEHTZBSWRI-UHFFFAOYSA-N
XLogP3.23
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-bromo-N-(2-chloro-3-nitrophenyl)acetamide
CID 130506609
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
N-(2-nitrophenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479162
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422
1-(2-nitrophenyl)-3-sulfonylurea
CID 87460922
2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide
CID 31013542

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide (CID 158137216) is 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide is O=C(Br)CBr.O=C(CBr)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide?
The InChIKey is FTMIFEHTZBSWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O3.C2H2Br2O/c9-5-8(12)10-6-3-1-2-4-7(6)11(13)14;3-1-2(4)5/h1-4H,5H2,(H,10,12);1H2.
What are the key properties of 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide?
2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide has a molecular weight of 460.90 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 158137216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).