2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide

C14H12FN3O2 — CID 139679701

IUPAC2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide
SMILESNC(=O)Cc1nccn1C1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C14H12FN3O2/c15-9-1-2-10-8(5-9)6-11(14(10)20)18-4-3-17-13(18)7-12(16)19/h1-5,11H,6-7H2,(H2,16,19)
InChIKeyZWYYRSVDOYLETG-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.03
Rot. Bonds3

About 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide

2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide (PubChem CID 139679701) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide
PubChem CID139679701
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide
SMILESNC(=O)Cc1nccn1C1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C14H12FN3O2/c15-9-1-2-10-8(5-9)6-11(14(10)20)18-4-3-17-13(18)7-12(16)19/h1-5,11H,6-7H2,(H2,16,19)
InChIKeyZWYYRSVDOYLETG-UHFFFAOYSA-N
XLogP1.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide?
The IUPAC name of 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide (CID 139679701) is 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide is NC(=O)Cc1nccn1C1Cc2cc(F)ccc2C1=O.
What is the InChIKey of 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide?
The InChIKey is ZWYYRSVDOYLETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-9-1-2-10-8(5-9)6-11(14(10)20)18-4-3-17-13(18)7-12(16)19/h1-5,11H,6-7H2,(H2,16,19).
What are the key properties of 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide?
2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide has a molecular weight of 273.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)imidazol-2-yl]acetamide is sourced from PubChem (CID 139679701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).