N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C13H15F3N2O — CID 78932004

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CCc2ccccc21
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)8-17-7-12(19)18-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,17H,5-8H2,(H,18,19)
InChIKeyBANLZSFZHGDKPK-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.94
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78932004) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78932004
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CCc2ccccc21
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)8-17-7-12(19)18-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,17H,5-8H2,(H,18,19)
InChIKeyBANLZSFZHGDKPK-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60702700
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-4-ylacetamide
CID 54910439
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
CID 100952588
2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97309302
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine
CID 83985097
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78932004) is N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is BANLZSFZHGDKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)8-17-7-12(19)18-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,17H,5-8H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 272.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78932004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).