N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide

C7H9FN4O3 — CID 5284660

IUPACN-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])NCCF
InChIInChI=1S/C7H9FN4O3/c8-1-2-9-6(13)5-11-4-3-10-7(11)12(14)15/h3-4H,1-2,5H2,(H,9,13)
InChIKeyJDEQUZYNZXTLAX-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.12
Rot. Bonds5

About N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide

N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide (PubChem CID 5284660) has the molecular formula C7H9FN4O3 and a molecular weight of 216.17 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide
PubChem CID5284660
Molecular FormulaC7H9FN4O3
Molecular Weight216.17 g/mol
Exact Mass216.07
IUPAC NameN-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])NCCF
InChIInChI=1S/C7H9FN4O3/c8-1-2-9-6(13)5-11-4-3-10-7(11)12(14)15/h3-4H,1-2,5H2,(H,9,13)
InChIKeyJDEQUZYNZXTLAX-UHFFFAOYSA-N
XLogP-0.12
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.12
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-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide (CID 5284660) is N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide is O=C(Cn1ccnc1[N+](=O)[O-])NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide?
The InChIKey is JDEQUZYNZXTLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4O3/c8-1-2-9-6(13)5-11-4-3-10-7(11)12(14)15/h3-4H,1-2,5H2,(H,9,13).
What are the key properties of N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide?
N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide has a molecular weight of 216.17 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 5284660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).