4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide

C18H16F4N2O3 — CID 47059246

IUPAC4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O3/c19-14-5-1-12(2-6-14)17(26)24-11-16(25)23-9-10-27-15-7-3-13(4-8-15)18(20,21)22/h1-8H,9-11H2,(H,23,25)(H,24,26)
InChIKeyISVQVELNCJAIOF-UHFFFAOYSA-N
MW384.33 g/mol
LogP2.77
Rot. Bonds7

About 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide

4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide (PubChem CID 47059246) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
PubChem CID47059246
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O3/c19-14-5-1-12(2-6-14)17(26)24-11-16(25)23-9-10-27-15-7-3-13(4-8-15)18(20,21)22/h1-8H,9-11H2,(H,23,25)(H,24,26)
InChIKeyISVQVELNCJAIOF-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide (CID 47059246) is 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NCCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide?
The InChIKey is ISVQVELNCJAIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c19-14-5-1-12(2-6-14)17(26)24-11-16(25)23-9-10-27-15-7-3-13(4-8-15)18(20,21)22/h1-8H,9-11H2,(H,23,25)(H,24,26).
What are the key properties of 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide?
4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide has a molecular weight of 384.33 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide is sourced from PubChem (CID 47059246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).