N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide

C23H20N2O — CID 112814812

IUPACN-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
SMILESO=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1ccccc1
InChIInChI=1S/C23H20N2O/c26-23(25-17-21-10-5-2-6-11-21)18-24-22-13-7-12-20(16-22)15-14-19-8-3-1-4-9-19/h1-13,16,24H,17-18H2,(H,25,26)
InChIKeyYIGXTPMJAZTRRT-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.81
Rot. Bonds5

About N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide

N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide (PubChem CID 112814812) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
PubChem CID112814812
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC NameN-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
SMILESO=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1ccccc1
InChIInChI=1S/C23H20N2O/c26-23(25-17-21-10-5-2-6-11-21)18-24-22-13-7-12-20(16-22)15-14-19-8-3-1-4-9-19/h1-13,16,24H,17-18H2,(H,25,26)
InChIKeyYIGXTPMJAZTRRT-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814822
N-[(4-methylphenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814826
1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825541
N-benzyl-2-(3-propan-2-ylanilino)acetamide
CID 28829787
N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
CID 26438582
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
3-[[(2-anilinoacetyl)amino]methyl]benzoic acid
CID 61161502
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
2-anilino-N-[(4-bromophenyl)methyl]acetamide
CID 60862420
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
N-(4-bromo-2-fluorophenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812607
N-benzyl-2-hydrazinylacetamide
CID 15514349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide?
The IUPAC name of N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide (CID 112814812) is N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide?
The canonical SMILES for N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide is O=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide?
The InChIKey is YIGXTPMJAZTRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c26-23(25-17-21-10-5-2-6-11-21)18-24-22-13-7-12-20(16-22)15-14-19-8-3-1-4-9-19/h1-13,16,24H,17-18H2,(H,25,26).
What are the key properties of N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide?
N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide has a molecular weight of 340.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide is sourced from PubChem (CID 112814812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).