N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

C12H11FN4O3 — CID 1080259

IUPACN-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C12H11FN4O3/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-10-5-3-2-4-9(10)13/h2-6H,7H2,1H3,(H,15,18)
InChIKeyKZSIRZVYFRDIAU-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.88
Rot. Bonds4

About N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (PubChem CID 1080259) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
PubChem CID1080259
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC NameN-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C12H11FN4O3/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-10-5-3-2-4-9(10)13/h2-6H,7H2,1H3,(H,15,18)
InChIKeyKZSIRZVYFRDIAU-UHFFFAOYSA-N
XLogP1.88
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (CID 1080259) is N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The InChIKey is KZSIRZVYFRDIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-10-5-3-2-4-9(10)13/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide has a molecular weight of 278.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 1080259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).