N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide

C11H7ClF3NO2 — CID 14638800

IUPACN-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide
SMILESO=C1c2ccccc2C(NC(=O)C(F)(F)F)C1Cl
InChIInChI=1S/C11H7ClF3NO2/c12-7-8(16-10(18)11(13,14)15)5-3-1-2-4-6(5)9(7)17/h1-4,7-8H,(H,16,18)
InChIKeyLMEYTTZHOCZTEC-UHFFFAOYSA-N
MW277.63 g/mol
LogP2.21
Rot. Bonds1

About N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide

N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide (PubChem CID 14638800) has the molecular formula C11H7ClF3NO2 and a molecular weight of 277.63 g/mol. Its IUPAC name is N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide
PubChem CID14638800
Molecular FormulaC11H7ClF3NO2
Molecular Weight277.63 g/mol
Exact Mass277.01
IUPAC NameN-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide
SMILESO=C1c2ccccc2C(NC(=O)C(F)(F)F)C1Cl
InChIInChI=1S/C11H7ClF3NO2/c12-7-8(16-10(18)11(13,14)15)5-3-1-2-4-6(5)9(7)17/h1-4,7-8H,(H,16,18)
InChIKeyLMEYTTZHOCZTEC-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 86686673
2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 158124392
2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 11425044
2,2,2-trifluoro-N-[(2R)-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 177402661
(E)-4-oxo-4-[[9-[(2,2,2-trifluoroacetyl)amino]-9H-fluoren-2-yl]amino]but-2-enoic acid
CID 6309691
N-[(5S,6R)-5-bromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide
CID 10065050
1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
CID 86001889
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
3-chloro-2-methyl-2,3-dihydroinden-1-one
CID 14291532
2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 175270253
2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 59846309

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide (CID 14638800) is N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide is O=C1c2ccccc2C(NC(=O)C(F)(F)F)C1Cl.
What is the InChIKey of N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide?
The InChIKey is LMEYTTZHOCZTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO2/c12-7-8(16-10(18)11(13,14)15)5-3-1-2-4-6(5)9(7)17/h1-4,7-8H,(H,16,18).
What are the key properties of N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide?
N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide has a molecular weight of 277.63 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 14638800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).