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

C9H9FN2O4 — CID 604094

IUPACN-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])c(NC(C)=O)cc1F
InChIInChI=1S/C9H9FN2O4/c1-5(13)11-7-3-6(10)9(16-2)4-8(7)12(14)15/h3-4H,1-2H3,(H,11,13)
InChIKeyHFJPRWKLPNLION-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.70
Rot. Bonds3

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

N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide (PubChem CID 604094) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide
PubChem CID604094
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC NameN-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])c(NC(C)=O)cc1F
InChIInChI=1S/C9H9FN2O4/c1-5(13)11-7-3-6(10)9(16-2)4-8(7)12(14)15/h3-4H,1-2H3,(H,11,13)
InChIKeyHFJPRWKLPNLION-UHFFFAOYSA-N
XLogP1.70
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide (CID 604094) is N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])c(NC(C)=O)cc1F.
What is the InChIKey of N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is HFJPRWKLPNLION-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4/c1-5(13)11-7-3-6(10)9(16-2)4-8(7)12(14)15/h3-4H,1-2H3,(H,11,13).
What are the key properties of N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide?
N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 228.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 604094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).