2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide

C11H9ClFNO — CID 24839437

IUPAC2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide
SMILESNC(=O)CC1C=Cc2c(Cl)cc(F)cc21
InChIInChI=1S/C11H9ClFNO/c12-10-5-7(13)4-9-6(3-11(14)15)1-2-8(9)10/h1-2,4-6H,3H2,(H2,14,15)
InChIKeyTVTDQSOHLSREJE-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.46
Rot. Bonds2

About 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide

2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide (PubChem CID 24839437) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide
PubChem CID24839437
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide
SMILESNC(=O)CC1C=Cc2c(Cl)cc(F)cc21
InChIInChI=1S/C11H9ClFNO/c12-10-5-7(13)4-9-6(3-11(14)15)1-2-8(9)10/h1-2,4-6H,3H2,(H2,14,15)
InChIKeyTVTDQSOHLSREJE-UHFFFAOYSA-N
XLogP2.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide (CID 24839437) is 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide is NC(=O)CC1C=Cc2c(Cl)cc(F)cc21.
What is the InChIKey of 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide?
The InChIKey is TVTDQSOHLSREJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c12-10-5-7(13)4-9-6(3-11(14)15)1-2-8(9)10/h1-2,4-6H,3H2,(H2,14,15).
What are the key properties of 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide?
2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide has a molecular weight of 225.65 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 24839437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).