2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide

C15H13F3N2O2 — CID 141314380

IUPAC2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC(=O)NCC(F)(F)F)ccc2ccccc12
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)8-20-12(21)7-10-6-5-9-3-1-2-4-11(9)13(10)14(19)22/h1-6H,7-8H2,(H2,19,22)(H,20,21)
InChIKeyQISLWXBYLZMCNE-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.16
Rot. Bonds4

About 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide

2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide (PubChem CID 141314380) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
PubChem CID141314380
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC(=O)NCC(F)(F)F)ccc2ccccc12
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)8-20-12(21)7-10-6-5-9-3-1-2-4-11(9)13(10)14(19)22/h1-6H,7-8H2,(H2,19,22)(H,20,21)
InChIKeyQISLWXBYLZMCNE-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide (CID 141314380) is 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide is NC(=O)c1c(CC(=O)NCC(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The InChIKey is QISLWXBYLZMCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)8-20-12(21)7-10-6-5-9-3-1-2-4-11(9)13(10)14(19)22/h1-6H,7-8H2,(H2,19,22)(H,20,21).
What are the key properties of 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 141314380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).