N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide

C24H21NO — CID 2248969

IUPACN-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccccc2C#Cc2ccccc2)cc1
InChIInChI=1S/C24H21NO/c1-2-8-19-14-17-22(18-15-19)24(26)25-23-12-7-6-11-21(23)16-13-20-9-4-3-5-10-20/h3-7,9-12,14-15,17-18H,2,8H2,1H3,(H,25,26)
InChIKeyULLXICBRIKUETE-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.29
Rot. Bonds4

About N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide

N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide (PubChem CID 2248969) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide
PubChem CID2248969
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC NameN-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccccc2C#Cc2ccccc2)cc1
InChIInChI=1S/C24H21NO/c1-2-8-19-14-17-22(18-15-19)24(26)25-23-12-7-6-11-21(23)16-13-20-9-4-3-5-10-20/h3-7,9-12,14-15,17-18H,2,8H2,1H3,(H,25,26)
InChIKeyULLXICBRIKUETE-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.29
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-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
N-(2-cyanophenyl)-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454573
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214095
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide
CID 126722806
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
1-(4-phenylbuta-1,3-diynyl)-4-propylbenzene
CID 102100558
N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide
CID 15106554
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide
CID 11508117
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide?
The IUPAC name of N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide (CID 2248969) is N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide?
The canonical SMILES for N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide is CCCc1ccc(C(=O)Nc2ccccc2C#Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide?
The InChIKey is ULLXICBRIKUETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-2-8-19-14-17-22(18-15-19)24(26)25-23-12-7-6-11-21(23)16-13-20-9-4-3-5-10-20/h3-7,9-12,14-15,17-18H,2,8H2,1H3,(H,25,26).
What are the key properties of N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide?
N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide is sourced from PubChem (CID 2248969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).