4-(2-phenylethynyl)benzamide

C15H11NO — CID 23130608

IUPAC4-(2-phenylethynyl)benzamide
SMILESNC(=O)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C15H11NO/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H2,16,17)
InChIKeyBUYMZAQOVUSJPV-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.19
Rot. Bonds1

About 4-(2-phenylethynyl)benzamide

4-(2-phenylethynyl)benzamide (PubChem CID 23130608) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(2-phenylethynyl)benzamide.

Molecular Properties

Compound Name4-(2-phenylethynyl)benzamide
PubChem CID23130608
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name4-(2-phenylethynyl)benzamide
SMILESNC(=O)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C15H11NO/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H2,16,17)
InChIKeyBUYMZAQOVUSJPV-UHFFFAOYSA-N
XLogP2.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.19
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

4-(2-phenylethynyl)benzoyl chloride
CID 11413793
4-(2-phenylethynyl)benzoate
CID 7176510
3-[[4-(2-phenylethynyl)benzoyl]amino]benzamide
CID 22110606
4-(2-phenylethynyl)benzoyl chloride;hydrochloride
CID 141166911
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
4-[2-(2-aminoquinolin-4-yl)ethynyl]benzamide
CID 134276816
4-[2-(4-nitrophenyl)ethynyl]benzamide
CID 175807940
benzamide;ethene
CID 143479548
sodium;benzamide;benzoic acid;hydride
CID 175327257
N-(3-amino-3-oxopropyl)-4-(2-phenylethynyl)benzamide
CID 171539123
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethynyl)benzamide?
The IUPAC name of 4-(2-phenylethynyl)benzamide (CID 23130608) is 4-(2-phenylethynyl)benzamide.
What is the SMILES notation for 4-(2-phenylethynyl)benzamide?
The canonical SMILES for 4-(2-phenylethynyl)benzamide is NC(=O)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethynyl)benzamide?
The InChIKey is BUYMZAQOVUSJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H2,16,17).
What are the key properties of 4-(2-phenylethynyl)benzamide?
4-(2-phenylethynyl)benzamide has a molecular weight of 221.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethynyl)benzamide is sourced from PubChem (CID 23130608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).