N-(4-bromo-5-methyl-2-nitrophenyl)acetamide

C9H9BrN2O3 — CID 2823275

IUPACN-(4-bromo-5-methyl-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc(C)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C9H9BrN2O3/c1-5-3-8(11-6(2)13)9(12(14)15)4-7(5)10/h3-4H,1-2H3,(H,11,13)
InChIKeyAQJRLODPFRPDNW-UHFFFAOYSA-N
MW273.09 g/mol
LogP2.62
Rot. Bonds2

About N-(4-bromo-5-methyl-2-nitrophenyl)acetamide

N-(4-bromo-5-methyl-2-nitrophenyl)acetamide (PubChem CID 2823275) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is N-(4-bromo-5-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-5-methyl-2-nitrophenyl)acetamide
PubChem CID2823275
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC NameN-(4-bromo-5-methyl-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc(C)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C9H9BrN2O3/c1-5-3-8(11-6(2)13)9(12(14)15)4-7(5)10/h3-4H,1-2H3,(H,11,13)
InChIKeyAQJRLODPFRPDNW-UHFFFAOYSA-N
XLogP2.62
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-methyl-2-nitrophenyl)acetamide?
The IUPAC name of N-(4-bromo-5-methyl-2-nitrophenyl)acetamide (CID 2823275) is N-(4-bromo-5-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-bromo-5-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for N-(4-bromo-5-methyl-2-nitrophenyl)acetamide is CC(=O)Nc1cc(C)c(Br)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-bromo-5-methyl-2-nitrophenyl)acetamide?
The InChIKey is AQJRLODPFRPDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-5-3-8(11-6(2)13)9(12(14)15)4-7(5)10/h3-4H,1-2H3,(H,11,13).
What are the key properties of N-(4-bromo-5-methyl-2-nitrophenyl)acetamide?
N-(4-bromo-5-methyl-2-nitrophenyl)acetamide has a molecular weight of 273.09 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 2823275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).