3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide

C16H10F3NO — CID 156695258

IUPAC3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F3NO/c17-16(18,19)13-7-9-14(10-8-13)20-15(21)11-6-12-4-2-1-3-5-12/h1-5,7-10H,(H,20,21)
InChIKeyNGPYTFSXTAWYFB-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.70
Rot. Bonds1

About 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide

3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide (PubChem CID 156695258) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
PubChem CID156695258
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F3NO/c17-16(18,19)13-7-9-14(10-8-13)20-15(21)11-6-12-4-2-1-3-5-12/h1-5,7-10H,(H,20,21)
InChIKeyNGPYTFSXTAWYFB-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.70
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

N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide
CID 132601982
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
3-[2-[3-[4-(trifluoromethyl)phenyl]prop-2-ynoylamino]phenoxy]benzoic acid
CID 23122298
1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896212
N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide
CID 82885550
1-(2-ethynylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135073242
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
1-(2-cyanophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896183
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61315174
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
2-benzylidene-N,N'-bis[4-(trifluoromethyl)phenyl]propanediamide
CID 5236437
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide?
The IUPAC name of 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide (CID 156695258) is 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide.
What is the SMILES notation for 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide?
The canonical SMILES for 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide is O=C(C#Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide?
The InChIKey is NGPYTFSXTAWYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c17-16(18,19)13-7-9-14(10-8-13)20-15(21)11-6-12-4-2-1-3-5-12/h1-5,7-10H,(H,20,21).
What are the key properties of 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide?
3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide has a molecular weight of 289.26 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide is sourced from PubChem (CID 156695258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).