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

C17H15F3N2O3 — CID 175422513

IUPAC4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(=O)NC(F)C(F)F)c2ccccc12
InChIInChI=1S/C17H15F3N2O3/c1-9(23)10-6-7-13(12-5-3-2-4-11(10)12)17(25)21-8-14(24)22-16(20)15(18)19/h2-7,15-16H,8H2,1H3,(H,21,25)(H,22,24)
InChIKeyYNKLWGSPBBLZOR-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.45
Rot. Bonds6

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

4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide (PubChem CID 175422513) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
PubChem CID175422513
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(=O)NC(F)C(F)F)c2ccccc12
InChIInChI=1S/C17H15F3N2O3/c1-9(23)10-6-7-13(12-5-3-2-4-11(10)12)17(25)21-8-14(24)22-16(20)15(18)19/h2-7,15-16H,8H2,1H3,(H,21,25)(H,22,24)
InChIKeyYNKLWGSPBBLZOR-UHFFFAOYSA-N
XLogP2.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide
CID 175576668
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
1-(4-ethylnaphthalen-1-yl)ethanone;1-(4-methylsulfanylnaphthalen-1-yl)ethanone
CID 161367210
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
CID 43567862
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
CID 164662945
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
CID 114088238
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
2-bromo-N-[2-[(3,3-difluoro-2-hydroxypropyl)amino]-2-oxoethyl]benzamide
CID 104889713
2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981439

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide (CID 175422513) is 4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide is CC(=O)c1ccc(C(=O)NCC(=O)NC(F)C(F)F)c2ccccc12.
What is the InChIKey of 4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The InChIKey is YNKLWGSPBBLZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-9(23)10-6-7-13(12-5-3-2-4-11(10)12)17(25)21-8-14(24)22-16(20)15(18)19/h2-7,15-16H,8H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
4-acetyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 2.45, 6 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-(1,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 175422513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).