N-ethoxy-4-(2-phenylethynyl)benzamide

C17H15NO2 — CID 18169125

IUPACN-ethoxy-4-(2-phenylethynyl)benzamide
SMILESCCONC(=O)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-2-20-18-17(19)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13H,2H2,1H3,(H,18,19)
InChIKeyQNVBYNFAAVKYTG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.77
Rot. Bonds3

About N-ethoxy-4-(2-phenylethynyl)benzamide

N-ethoxy-4-(2-phenylethynyl)benzamide (PubChem CID 18169125) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-ethoxy-4-(2-phenylethynyl)benzamide.

Molecular Properties

Compound NameN-ethoxy-4-(2-phenylethynyl)benzamide
PubChem CID18169125
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-ethoxy-4-(2-phenylethynyl)benzamide
SMILESCCONC(=O)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-2-20-18-17(19)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13H,2H2,1H3,(H,18,19)
InChIKeyQNVBYNFAAVKYTG-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethoxybenzamide
CID 62058413
ethyl 4-(4-phenylbuta-1,3-diynyl)benzoate
CID 25052516
ethyl 3,3-bis[4-(2-phenylethynyl)phenyl]prop-2-enoate
CID 19261667
N-[(2R)-pentan-2-yl]-4-(2-phenylethynyl)benzamide
CID 32690633
N-(3-amino-3-oxopropyl)-4-(2-phenylethynyl)benzamide
CID 171539123
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
CID 71580592
4-(2-phenylethynyl)benzamide
CID 23130608
4-(2-phenylethynyl)benzoate
CID 7176510
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
N,3-diethoxy-4-(2-phenoxyethoxy)benzamide
CID 30689941
N-(3,3-dimethylbutyl)-4-(2-phenylethynyl)benzamide
CID 25125996
ethyl 4-[2-(2-hydroxyphenyl)ethynyl]benzoate
CID 22104575

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-(2-phenylethynyl)benzamide?
The IUPAC name of N-ethoxy-4-(2-phenylethynyl)benzamide (CID 18169125) is N-ethoxy-4-(2-phenylethynyl)benzamide.
What is the SMILES notation for N-ethoxy-4-(2-phenylethynyl)benzamide?
The canonical SMILES for N-ethoxy-4-(2-phenylethynyl)benzamide is CCONC(=O)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of N-ethoxy-4-(2-phenylethynyl)benzamide?
The InChIKey is QNVBYNFAAVKYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-20-18-17(19)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13H,2H2,1H3,(H,18,19).
What are the key properties of N-ethoxy-4-(2-phenylethynyl)benzamide?
N-ethoxy-4-(2-phenylethynyl)benzamide has a molecular weight of 265.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-(2-phenylethynyl)benzamide is sourced from PubChem (CID 18169125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).