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

C9H9BrN2O4 — CID 71409389

IUPACN-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])c(Br)cc1NC(C)=O
InChIInChI=1S/C9H9BrN2O4/c1-5(13)11-7-3-6(10)8(12(14)15)4-9(7)16-2/h3-4H,1-2H3,(H,11,13)
InChIKeyZLRCVPIZTVKMET-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.32
Rot. Bonds3

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

N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide (PubChem CID 71409389) has the molecular formula C9H9BrN2O4 and a molecular weight of 289.09 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
PubChem CID71409389
Molecular FormulaC9H9BrN2O4
Molecular Weight289.09 g/mol
Exact Mass287.97
IUPAC NameN-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])c(Br)cc1NC(C)=O
InChIInChI=1S/C9H9BrN2O4/c1-5(13)11-7-3-6(10)8(12(14)15)4-9(7)16-2/h3-4H,1-2H3,(H,11,13)
InChIKeyZLRCVPIZTVKMET-UHFFFAOYSA-N
XLogP2.32
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dibromo-4-nitrophenyl)acetamide
CID 11325213
3-bromo-4-methoxyaniline;N-(5-bromo-4-methoxy-2-nitrophenyl)acetamide
CID 175201452
N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
CID 171363899
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
CID 110459513
methyl 5-acetamido-2-bromo-4-nitrobenzoate
CID 169494735
2-bromo-1-(5-bromo-2-methoxy-4-nitrophenyl)ethanone
CID 171007933
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
2-(5-bromo-2-methoxy-4-nitrophenyl)-2-hydroxyacetic acid
CID 171008066
N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide
CID 18524507
5-bromo-2-methoxy-4-nitrobenzonitrile
CID 14977388
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
4-bromo-1,2-dimethoxybenzene;1-bromo-4,5-dimethoxy-2-nitrobenzene
CID 160559633

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide (CID 71409389) is N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])c(Br)cc1NC(C)=O.
What is the InChIKey of N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is ZLRCVPIZTVKMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O4/c1-5(13)11-7-3-6(10)8(12(14)15)4-9(7)16-2/h3-4H,1-2H3,(H,11,13).
What are the key properties of N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide?
N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 289.09 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 71409389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).