2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C13H15F3N2O — CID 60702700

IUPAC2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CCc2ccccc21)NCC(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)8-18-12(19)7-17-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,17H,5-8H2,(H,18,19)
InChIKeyMPVPSSWIVINMED-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.94
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60702700) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60702700
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CCc2ccccc21)NCC(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)8-18-12(19)7-17-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,17H,5-8H2,(H,18,19)
InChIKeyMPVPSSWIVINMED-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60702700) is 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC1CCc2ccccc21)NCC(F)(F)F.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MPVPSSWIVINMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)8-18-12(19)7-17-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,17H,5-8H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)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 2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60702700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).