N-(2-bromo-3-nitrophenyl)acetamide

C8H7BrN2O3 — CID 68518148

IUPACN-(2-bromo-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1cccc([N+](=O)[O-])c1Br
InChIInChI=1S/C8H7BrN2O3/c1-5(12)10-6-3-2-4-7(8(6)9)11(13)14/h2-4H,1H3,(H,10,12)
InChIKeyUFJZQUZECTYMIK-UHFFFAOYSA-N
MW259.06 g/mol
LogP2.32
Rot. Bonds2

About N-(2-bromo-3-nitrophenyl)acetamide

N-(2-bromo-3-nitrophenyl)acetamide (PubChem CID 68518148) has the molecular formula C8H7BrN2O3 and a molecular weight of 259.06 g/mol. Its IUPAC name is N-(2-bromo-3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-nitrophenyl)acetamide
PubChem CID68518148
Molecular FormulaC8H7BrN2O3
Molecular Weight259.06 g/mol
Exact Mass257.96
IUPAC NameN-(2-bromo-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1cccc([N+](=O)[O-])c1Br
InChIInChI=1S/C8H7BrN2O3/c1-5(12)10-6-3-2-4-7(8(6)9)11(13)14/h2-4H,1H3,(H,10,12)
InChIKeyUFJZQUZECTYMIK-UHFFFAOYSA-N
XLogP2.32
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 86816899
N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 11325213
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-(2-amino-6-nitrophenyl)acetamide
CID 67947056
N-(2-acetyl-6-nitrophenyl)acetamide
CID 4639280
N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
CID 71373249
1-bromo-2-nitrobenzene;propan-2-one
CID 46911798
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
[acetyloxy-(2-bromo-3-nitrophenyl)methyl] acetate
CID 121219480
3-acetamido-2-nitrobenzoate
CID 7154741
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-nitrophenyl)acetamide?
The IUPAC name of N-(2-bromo-3-nitrophenyl)acetamide (CID 68518148) is N-(2-bromo-3-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-3-nitrophenyl)acetamide?
The canonical SMILES for N-(2-bromo-3-nitrophenyl)acetamide is CC(=O)Nc1cccc([N+](=O)[O-])c1Br.
What is the InChIKey of N-(2-bromo-3-nitrophenyl)acetamide?
The InChIKey is UFJZQUZECTYMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O3/c1-5(12)10-6-3-2-4-7(8(6)9)11(13)14/h2-4H,1H3,(H,10,12).
What are the key properties of N-(2-bromo-3-nitrophenyl)acetamide?
N-(2-bromo-3-nitrophenyl)acetamide has a molecular weight of 259.06 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-nitrophenyl)acetamide is sourced from PubChem (CID 68518148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).