4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide

C22H18F4N2O — CID 134093579

IUPAC4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1NCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18F4N2O/c23-18-9-6-16(7-10-18)21(29)28-20-14-17(22(24,25)26)8-11-19(20)27-13-12-15-4-2-1-3-5-15/h1-11,14,27H,12-13H2,(H,28,29)
InChIKeyKNBJXDCHMFJHOY-UHFFFAOYSA-N
MW402.39 g/mol
LogP5.75
Rot. Bonds6

About 4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide

4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 134093579) has the molecular formula C22H18F4N2O and a molecular weight of 402.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID134093579
Molecular FormulaC22H18F4N2O
Molecular Weight402.39 g/mol
Exact Mass402.14
IUPAC Name4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1NCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18F4N2O/c23-18-9-6-16(7-10-18)21(29)28-20-14-17(22(24,25)26)8-11-19(20)27-13-12-15-4-2-1-3-5-15/h1-11,14,27H,12-13H2,(H,28,29)
InChIKeyKNBJXDCHMFJHOY-UHFFFAOYSA-N
XLogP5.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.39
LogP ≤ 55.75
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-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide (CID 134093579) is 4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1NCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KNBJXDCHMFJHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N2O/c23-18-9-6-16(7-10-18)21(29)28-20-14-17(22(24,25)26)8-11-19(20)27-13-12-15-4-2-1-3-5-15/h1-11,14,27H,12-13H2,(H,28,29).
What are the key properties of 4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide?
4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 402.39 g/mol, XLogP of 5.75, 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-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134093579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).