2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide

C23H16F3NO — CID 31825072

IUPAC2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
SMILESO=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H16F3NO/c24-23(25,26)19-12-6-8-17(16-19)9-7-15-27-22(28)21-14-5-4-13-20(21)18-10-2-1-3-11-18/h1-6,8,10-14,16H,15H2,(H,27,28)
InChIKeyAEEJXZNGFIHDEC-UHFFFAOYSA-N
MW379.38 g/mol
LogP5.15
Rot. Bonds3

About 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide

2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide (PubChem CID 31825072) has the molecular formula C23H16F3NO and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide.

Molecular Properties

Compound Name2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
PubChem CID31825072
Molecular FormulaC23H16F3NO
Molecular Weight379.38 g/mol
Exact Mass379.12
IUPAC Name2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
SMILESO=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H16F3NO/c24-23(25,26)19-12-6-8-17(16-19)9-7-15-27-22(28)21-14-5-4-13-20(21)18-10-2-1-3-11-18/h1-6,8,10-14,16H,15H2,(H,27,28)
InChIKeyAEEJXZNGFIHDEC-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(thiophene-2-carbonyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 31825077
2-bromo-4-fluoro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 18272856
2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 24616941
1-benzyl-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553760
2-chloro-N-[3-methyl-1-oxo-1-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylamino]butan-2-yl]benzamide
CID 42937853
2-(1,3-thiazol-4-ylmethoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 78841200
1-(3-hydroxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 110892280
2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 32735659
5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 90550637
4,5-dimethoxy-2-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 31871227
1-(2-methylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553780
1-(2-fluorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553779

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide?
The IUPAC name of 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide (CID 31825072) is 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide.
What is the SMILES notation for 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide?
The canonical SMILES for 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide is O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide?
The InChIKey is AEEJXZNGFIHDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO/c24-23(25,26)19-12-6-8-17(16-19)9-7-15-27-22(28)21-14-5-4-13-20(21)18-10-2-1-3-11-18/h1-6,8,10-14,16H,15H2,(H,27,28).
What are the key properties of 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide?
2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide has a molecular weight of 379.38 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide is sourced from PubChem (CID 31825072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).