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

C8H6BrClN2O3 — CID 130506609

IUPAC2-bromo-N-(2-chloro-3-nitrophenyl)acetamide
SMILESO=C(CBr)Nc1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H6BrClN2O3/c9-4-7(13)11-5-2-1-3-6(8(5)10)12(14)15/h1-3H,4H2,(H,11,13)
InChIKeySUUAEJIDTNUJPP-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.58
Rot. Bonds3

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

2-bromo-N-(2-chloro-3-nitrophenyl)acetamide (PubChem CID 130506609) has the molecular formula C8H6BrClN2O3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-3-nitrophenyl)acetamide
PubChem CID130506609
Molecular FormulaC8H6BrClN2O3
Molecular Weight293.50 g/mol
Exact Mass291.93
IUPAC Name2-bromo-N-(2-chloro-3-nitrophenyl)acetamide
SMILESO=C(CBr)Nc1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H6BrClN2O3/c9-4-7(13)11-5-2-1-3-6(8(5)10)12(14)15/h1-3H,4H2,(H,11,13)
InChIKeySUUAEJIDTNUJPP-UHFFFAOYSA-N
XLogP2.58
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
CID 158137216
2-[2-(2-chloro-3-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 114270039
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide
CID 154119488
2-chloro-3-nitrobenzoyl bromide
CID 139677086
2-chloro-N-[2-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115931017
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-3-nitrophenyl)acetamide?
The IUPAC name of 2-bromo-N-(2-chloro-3-nitrophenyl)acetamide (CID 130506609) is 2-bromo-N-(2-chloro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-chloro-3-nitrophenyl)acetamide is O=C(CBr)Nc1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-bromo-N-(2-chloro-3-nitrophenyl)acetamide?
The InChIKey is SUUAEJIDTNUJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2O3/c9-4-7(13)11-5-2-1-3-6(8(5)10)12(14)15/h1-3H,4H2,(H,11,13).
What are the key properties of 2-bromo-N-(2-chloro-3-nitrophenyl)acetamide?
2-bromo-N-(2-chloro-3-nitrophenyl)acetamide has a molecular weight of 293.50 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-3-nitrophenyl)acetamide is sourced from PubChem (CID 130506609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).