N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide

C8H11FN4O3 — CID 5284659

IUPACN-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])NCCCF
InChIInChI=1S/C8H11FN4O3/c9-2-1-3-10-7(14)6-12-5-4-11-8(12)13(15)16/h4-5H,1-3,6H2,(H,10,14)
InChIKeyRBCNKZXYWOVDSQ-UHFFFAOYSA-N
MW230.20 g/mol
LogP0.27
Rot. Bonds6

About N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide

N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide (PubChem CID 5284659) has the molecular formula C8H11FN4O3 and a molecular weight of 230.20 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide
PubChem CID5284659
Molecular FormulaC8H11FN4O3
Molecular Weight230.20 g/mol
Exact Mass230.08
IUPAC NameN-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])NCCCF
InChIInChI=1S/C8H11FN4O3/c9-2-1-3-10-7(14)6-12-5-4-11-8(12)13(15)16/h4-5H,1-3,6H2,(H,10,14)
InChIKeyRBCNKZXYWOVDSQ-UHFFFAOYSA-N
XLogP0.27
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide (CID 5284659) is N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide is O=C(Cn1ccnc1[N+](=O)[O-])NCCCF.
What is the InChIKey of N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide?
The InChIKey is RBCNKZXYWOVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O3/c9-2-1-3-10-7(14)6-12-5-4-11-8(12)13(15)16/h4-5H,1-3,6H2,(H,10,14).
What are the key properties of N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide?
N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide has a molecular weight of 230.20 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 5284659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).