2-ethynyl-N-phenylbenzamide

C15H11NO — CID 25216325

IUPAC2-ethynyl-N-phenylbenzamide
SMILESC#Cc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H11NO/c1-2-12-8-6-7-11-14(12)15(17)16-13-9-4-3-5-10-13/h1,3-11H,(H,16,17)
InChIKeyUCKVXOKXRIWUNB-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.92
Rot. Bonds2

About 2-ethynyl-N-phenylbenzamide

2-ethynyl-N-phenylbenzamide (PubChem CID 25216325) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-ethynyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-ethynyl-N-phenylbenzamide
PubChem CID25216325
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-ethynyl-N-phenylbenzamide
SMILESC#Cc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H11NO/c1-2-12-8-6-7-11-14(12)15(17)16-13-9-4-3-5-10-13/h1,3-11H,(H,16,17)
InChIKeyUCKVXOKXRIWUNB-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethynyl-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N-phenylbenzamide
CID 157209959
2-[2-(4-methylphenyl)ethynyl]-N-phenylbenzamide
CID 102453859
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
2-ethynyl-N-(2-sulfamoylphenyl)benzamide
CID 18544113
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-hex-1-ynyl-N-phenylbenzamide
CID 102337761
2,3-dichloro-N-phenylbenzamide
CID 7732866
N-(4-bromophenyl)-2-(2-phenylethynyl)benzamide
CID 135017964
N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide
CID 135017880
2-ethynylbenzoate
CID 22323782
2-ethynylbenzenecarbothioic S-acid
CID 172841232

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-N-phenylbenzamide?
The IUPAC name of 2-ethynyl-N-phenylbenzamide (CID 25216325) is 2-ethynyl-N-phenylbenzamide.
What is the SMILES notation for 2-ethynyl-N-phenylbenzamide?
The canonical SMILES for 2-ethynyl-N-phenylbenzamide is C#Cc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-ethynyl-N-phenylbenzamide?
The InChIKey is UCKVXOKXRIWUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c1-2-12-8-6-7-11-14(12)15(17)16-13-9-4-3-5-10-13/h1,3-11H,(H,16,17).
What are the key properties of 2-ethynyl-N-phenylbenzamide?
2-ethynyl-N-phenylbenzamide has a molecular weight of 221.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-N-phenylbenzamide is sourced from PubChem (CID 25216325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).