N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C16H16ClF3N2O2 — CID 171903771

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCc2cc(Cl)ccc21)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C16H16ClF3N2O2/c17-9-2-3-10-8(7-9)1-5-12(10)21-14(23)11-4-6-13(16(18,19)20)22-15(11)24/h2-3,7,11-13H,1,4-6H2,(H,21,23)(H,22,24)
InChIKeyZFVYPGDMOHWSBG-UHFFFAOYSA-N
MW360.76 g/mol
LogP2.90
Rot. Bonds2

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903771) has the molecular formula C16H16ClF3N2O2 and a molecular weight of 360.76 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903771
Molecular FormulaC16H16ClF3N2O2
Molecular Weight360.76 g/mol
Exact Mass360.09
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCc2cc(Cl)ccc21)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C16H16ClF3N2O2/c17-9-2-3-10-8(7-9)1-5-12(10)21-14(23)11-4-6-13(16(18,19)20)22-15(11)24/h2-3,7,11-13H,1,4-6H2,(H,21,23)(H,22,24)
InChIKeyZFVYPGDMOHWSBG-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903771) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(NC1CCc2cc(Cl)ccc21)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is ZFVYPGDMOHWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O2/c17-9-2-3-10-8(7-9)1-5-12(10)21-14(23)11-4-6-13(16(18,19)20)22-15(11)24/h2-3,7,11-13H,1,4-6H2,(H,21,23)(H,22,24).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 360.76 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).