2-bromo-N-(4-methyl-2-nitrophenyl)acetamide

C9H9BrN2O3 — CID 3415346

IUPAC2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CBr)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9BrN2O3/c1-6-2-3-7(11-9(13)5-10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13)
InChIKeySIMZMVRYGYHDAU-UHFFFAOYSA-N
MW273.09 g/mol
LogP2.24
Rot. Bonds3

About 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide

2-bromo-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 3415346) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID3415346
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CBr)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9BrN2O3/c1-6-2-3-7(11-9(13)5-10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13)
InChIKeySIMZMVRYGYHDAU-UHFFFAOYSA-N
XLogP2.24
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 52.24
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

N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-nitrophenyl)acetamide
CID 3928113
2-(2-aminoethylsulfanyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 84551895
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 7778820
2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 79851993
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
CID 112557772
[(E)-[(2Z)-2-[(4-methyl-2-nitrophenyl)carbamoyloxyimino]ethylidene]amino] N-(4-methyl-2-nitrophenyl)carbamate
CID 51064197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide (CID 3415346) is 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CBr)c([N+](=O)[O-])c1.
What is the InChIKey of 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is SIMZMVRYGYHDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-6-2-3-7(11-9(13)5-10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide?
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 273.09 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 3415346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).