N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide

C16H18F3N3O2 — CID 58995215

IUPACN-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCc2cc(N3CC[C@H](N)C3=O)ccc21
InChIInChI=1S/C16H18F3N3O2/c1-21(15(24)16(17,18)19)13-5-2-9-8-10(3-4-11(9)13)22-7-6-12(20)14(22)23/h3-4,8,12-13H,2,5-7,20H2,1H3/t12-,13?/m0/s1
InChIKeyFGOPTCMGSHPSGG-UEWDXFNNSA-N
MW341.33 g/mol
LogP1.76
Rot. Bonds2

About N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide

N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 58995215) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID58995215
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCc2cc(N3CC[C@H](N)C3=O)ccc21
InChIInChI=1S/C16H18F3N3O2/c1-21(15(24)16(17,18)19)13-5-2-9-8-10(3-4-11(9)13)22-7-6-12(20)14(22)23/h3-4,8,12-13H,2,5-7,20H2,1H3/t12-,13?/m0/s1
InChIKeyFGOPTCMGSHPSGG-UEWDXFNNSA-N
XLogP1.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid
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CID 69123416
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
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4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
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methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate
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3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
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CID 4244902
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
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3-amino-1-[3-(2-phenylethynyl)phenyl]pyrrolidin-2-one;hydrochloride
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2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide
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(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
6-chloro-N-[1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide (CID 58995215) is N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)C1CCc2cc(N3CC[C@H](N)C3=O)ccc21.
What is the InChIKey of N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is FGOPTCMGSHPSGG-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-21(15(24)16(17,18)19)13-5-2-9-8-10(3-4-11(9)13)22-7-6-12(20)14(22)23/h3-4,8,12-13H,2,5-7,20H2,1H3/t12-,13?/m0/s1.
What are the key properties of N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide?
N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 341.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 58995215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).