2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide

C23H19NO — CID 11508117

IUPAC2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO/c1-18(20-12-6-3-7-13-20)23(25)24-22-15-9-8-14-21(22)17-16-19-10-4-2-5-11-19/h2-15,18H,1H3,(H,24,25)
InChIKeyCWZNFXZDMGVNHL-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.83
Rot. Bonds3

About 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide

2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide (PubChem CID 11508117) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide
PubChem CID11508117
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO/c1-18(20-12-6-3-7-13-20)23(25)24-22-15-9-8-14-21(22)17-16-19-10-4-2-5-11-19/h2-15,18H,1H3,(H,24,25)
InChIKeyCWZNFXZDMGVNHL-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.83
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-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide
CID 2247470
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(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
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methyl 2-(2-phenylpropanoylamino)benzoate
CID 68817246
2,2-diphenyl-N-[2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 10738761
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CID 2944727
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761
4-[2-(2-phenylethynyl)anilino]butan-2-one
CID 86040634
1-(3-hydroxypropyl)-3-[2-(2-phenylethynyl)phenyl]urea
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N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612
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CID 106834835

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide?
The IUPAC name of 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide (CID 11508117) is 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide.
What is the SMILES notation for 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide?
The canonical SMILES for 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide is CC(C(=O)Nc1ccccc1C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide?
The InChIKey is CWZNFXZDMGVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-18(20-12-6-3-7-13-20)23(25)24-22-15-9-8-14-21(22)17-16-19-10-4-2-5-11-19/h2-15,18H,1H3,(H,24,25).
What are the key properties of 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide?
2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide has a molecular weight of 325.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide is sourced from PubChem (CID 11508117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).