4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide

C23H18F4N2O2 — CID 24899995

IUPAC4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F4N2O2/c24-19-11-9-16(10-12-19)22(31)28-14-20(30)29-21(15-5-2-1-3-6-15)17-7-4-8-18(13-17)23(25,26)27/h1-13,21H,14H2,(H,28,31)(H,29,30)
InChIKeyRFDAXGBKSBMVFF-UHFFFAOYSA-N
MW430.40 g/mol
LogP4.48
Rot. Bonds6

About 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide

4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide (PubChem CID 24899995) has the molecular formula C23H18F4N2O2 and a molecular weight of 430.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide
PubChem CID24899995
Molecular FormulaC23H18F4N2O2
Molecular Weight430.40 g/mol
Exact Mass430.13
IUPAC Name4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F4N2O2/c24-19-11-9-16(10-12-19)22(31)28-14-20(30)29-21(15-5-2-1-3-6-15)17-7-4-8-18(13-17)23(25,26)27/h1-13,21H,14H2,(H,28,31)(H,29,30)
InChIKeyRFDAXGBKSBMVFF-UHFFFAOYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide (CID 24899995) is 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide?
The InChIKey is RFDAXGBKSBMVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O2/c24-19-11-9-16(10-12-19)22(31)28-14-20(30)29-21(15-5-2-1-3-6-15)17-7-4-8-18(13-17)23(25,26)27/h1-13,21H,14H2,(H,28,31)(H,29,30).
What are the key properties of 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide?
4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide has a molecular weight of 430.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide is sourced from PubChem (CID 24899995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).