N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide

C12H11FN4O3 — CID 110474718

IUPACN-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCn1ccnc1CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H11FN4O3/c1-16-5-4-14-11(16)7-12(18)15-8-2-3-10(17(19)20)9(13)6-8/h2-6H,7H2,1H3,(H,15,18)
InChIKeyZMJVHSXMIYDRSR-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.65
Rot. Bonds4

About N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide

N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 110474718) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide
PubChem CID110474718
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC NameN-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCn1ccnc1CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H11FN4O3/c1-16-5-4-14-11(16)7-12(18)15-8-2-3-10(17(19)20)9(13)6-8/h2-6H,7H2,1H3,(H,15,18)
InChIKeyZMJVHSXMIYDRSR-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide (CID 110474718) is N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide is Cn1ccnc1CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide?
The InChIKey is ZMJVHSXMIYDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c1-16-5-4-14-11(16)7-12(18)15-8-2-3-10(17(19)20)9(13)6-8/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide?
N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 278.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 110474718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).