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

C17H15F3N2O3 — CID 66865191

IUPAC4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(=O)NCC(F)(F)F)c2ccccc12
InChIInChI=1S/C17H15F3N2O3/c1-10(23)11-6-7-14(13-5-3-2-4-12(11)13)16(25)21-8-15(24)22-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyYNFPTDDRPNHRHQ-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.45
Rot. Bonds5

About 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide

4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide (PubChem CID 66865191) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
PubChem CID66865191
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(=O)NCC(F)(F)F)c2ccccc12
InChIInChI=1S/C17H15F3N2O3/c1-10(23)11-6-7-14(13-5-3-2-4-12(11)13)16(25)21-8-15(24)22-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyYNFPTDDRPNHRHQ-UHFFFAOYSA-N
XLogP2.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide (CID 66865191) is 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide is CC(=O)c1ccc(C(=O)NCC(=O)NCC(F)(F)F)c2ccccc12.
What is the InChIKey of 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The InChIKey is YNFPTDDRPNHRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-10(23)11-6-7-14(13-5-3-2-4-12(11)13)16(25)21-8-15(24)22-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 66865191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).