N-[3-(2-phenylethynyl)phenyl]acetamide

C16H13NO — CID 90074626

IUPACN-[3-(2-phenylethynyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C16H13NO/c1-13(18)17-16-9-5-8-15(12-16)11-10-14-6-3-2-4-7-14/h2-9,12H,1H3,(H,17,18)
InChIKeyYCTLTDXARGJUQR-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.04
Rot. Bonds1

About N-[3-(2-phenylethynyl)phenyl]acetamide

N-[3-(2-phenylethynyl)phenyl]acetamide (PubChem CID 90074626) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[3-(2-phenylethynyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-phenylethynyl)phenyl]acetamide
PubChem CID90074626
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC NameN-[3-(2-phenylethynyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C16H13NO/c1-13(18)17-16-9-5-8-15(12-16)11-10-14-6-3-2-4-7-14/h2-9,12H,1H3,(H,17,18)
InChIKeyYCTLTDXARGJUQR-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.04
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-[3-[2-(4-hydroxy-3,5-dimethylphenyl)ethynyl]phenyl]acetamide
CID 141482066
methyl 3-[2-(3-acetamidophenyl)ethynyl]benzoate
CID 46430776
(2Z)-3-hydroxy-N,N,2-trimethyl-4-[3-(2-phenylethynyl)anilino]penta-2,4-dienamide
CID 143479373
1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825541
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-(3-hydroxybutyl)-N'-[3-(2-phenylethynyl)phenyl]oxamide
CID 111337528
cobalt;N-phenylacetamide
CID 158689050
1-cyclohexyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825422
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
4-acetamido-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 30594161
N-[3-[3-(4-nitrophenyl)-3-oxoprop-1-ynyl]phenyl]acetamide
CID 25109932
N-(3-ethynylphenyl)-2-[[3-(2-phenylethynyl)phenyl]carbamoylamino]acetamide
CID 112838330

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethynyl)phenyl]acetamide?
The IUPAC name of N-[3-(2-phenylethynyl)phenyl]acetamide (CID 90074626) is N-[3-(2-phenylethynyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-phenylethynyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-phenylethynyl)phenyl]acetamide is CC(=O)Nc1cccc(C#Cc2ccccc2)c1.
What is the InChIKey of N-[3-(2-phenylethynyl)phenyl]acetamide?
The InChIKey is YCTLTDXARGJUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-13(18)17-16-9-5-8-15(12-16)11-10-14-6-3-2-4-7-14/h2-9,12H,1H3,(H,17,18).
What are the key properties of N-[3-(2-phenylethynyl)phenyl]acetamide?
N-[3-(2-phenylethynyl)phenyl]acetamide has a molecular weight of 235.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethynyl)phenyl]acetamide is sourced from PubChem (CID 90074626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).