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

C16H12ClF3N2O2 — CID 155464842

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCc2cc(Cl)ccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H12ClF3N2O2/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/h2-4,6-7,12H,1,5H2,(H,21,23)(H,22,24)
InChIKeyQHRFPTRHUGJRPW-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.46
Rot. Bonds2

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

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464842) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464842
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCc2cc(Cl)ccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H12ClF3N2O2/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/h2-4,6-7,12H,1,5H2,(H,21,23)(H,22,24)
InChIKeyQHRFPTRHUGJRPW-UHFFFAOYSA-N
XLogP3.46
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464842) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCc2cc(Cl)ccc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QHRFPTRHUGJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/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/h2-4,6-7,12H,1,5H2,(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)-1H-pyridine-3-carboxamide?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 356.73 g/mol, XLogP of 3.46, 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)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).