2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C15H19F3N2O2 — CID 95322140

IUPAC2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(CCO)[C@@H]1CCc2ccccc21)NCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-19-14(22)9-20(7-8-21)13-6-5-11-3-1-2-4-12(11)13/h1-4,13,21H,5-10H2,(H,19,22)/t13-/m1/s1
InChIKeyZXBVWLPISVNKML-CYBMUJFWSA-N
MW316.32 g/mol
LogP1.65
Rot. Bonds6

About 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95322140) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95322140
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(CCO)[C@@H]1CCc2ccccc21)NCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-19-14(22)9-20(7-8-21)13-6-5-11-3-1-2-4-12(11)13/h1-4,13,21H,5-10H2,(H,19,22)/t13-/m1/s1
InChIKeyZXBVWLPISVNKML-CYBMUJFWSA-N
XLogP1.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 111332276
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-prop-2-enylacetamide
CID 111332324
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 111333592
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60702700
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 111436327
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
2-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 119931686
N-[(1R)-1-(furan-2-yl)ethyl]-2-[2-hydroxyethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 95325971
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 95627739

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 95322140) is 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN(CCO)[C@@H]1CCc2ccccc21)NCC(F)(F)F.
What is the InChIKey of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZXBVWLPISVNKML-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)10-19-14(22)9-20(7-8-21)13-6-5-11-3-1-2-4-12(11)13/h1-4,13,21H,5-10H2,(H,19,22)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 316.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95322140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).