2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide

C24H18F3NO — CID 24616941

IUPAC2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESO=C(NCC#Cc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18F3NO/c25-24(26,27)21-15-7-9-18(17-21)10-8-16-28-23(29)22(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-7,9,11-15,17,22H,16H2,(H,28,29)
InChIKeyAIKXANONHMJWJO-UHFFFAOYSA-N
MW393.41 g/mol
LogP5.01
Rot. Bonds4

About 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide

2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (PubChem CID 24616941) has the molecular formula C24H18F3NO and a molecular weight of 393.41 g/mol. Its IUPAC name is 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
PubChem CID24616941
Molecular FormulaC24H18F3NO
Molecular Weight393.41 g/mol
Exact Mass393.13
IUPAC Name2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESO=C(NCC#Cc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18F3NO/c25-24(26,27)21-15-7-9-18(17-21)10-8-16-28-23(29)22(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-7,9,11-15,17,22H,16H2,(H,28,29)
InChIKeyAIKXANONHMJWJO-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 55.01
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

1-benzyl-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553760
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
2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 31825072
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
2-methyl-1-(1-phenylethyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]guanidine;hydroiodide
CID 111545650
2-chloro-N-[3-methyl-1-oxo-1-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylamino]butan-2-yl]benzamide
CID 42937853
1-pentyl-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 78856359
1-(4-hydroxy-2-methylbutyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 111504380
1-(3-methylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553743
4-[3-(trifluoromethyl)phenyl]but-3-ynoic acid
CID 57429633

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (CID 24616941) is 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The InChIKey is AIKXANONHMJWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO/c25-24(26,27)21-15-7-9-18(17-21)10-8-16-28-23(29)22(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-7,9,11-15,17,22H,16H2,(H,28,29).
What are the key properties of 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is sourced from PubChem (CID 24616941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).