2-(2-ethynylphenyl)acetamide

C10H9NO — CID 53342997

IUPAC2-(2-ethynylphenyl)acetamide
SMILESC#Cc1ccccc1CC(N)=O
InChIInChI=1S/C10H9NO/c1-2-8-5-3-4-6-9(8)7-10(11)12/h1,3-6H,7H2,(H2,11,12)
InChIKeyGDTPIGQXNMUFMV-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.70
Rot. Bonds2

About 2-(2-ethynylphenyl)acetamide

2-(2-ethynylphenyl)acetamide (PubChem CID 53342997) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(2-ethynylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethynylphenyl)acetamide
PubChem CID53342997
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-(2-ethynylphenyl)acetamide
SMILESC#Cc1ccccc1CC(N)=O
InChIInChI=1S/C10H9NO/c1-2-8-5-3-4-6-9(8)7-10(11)12/h1,3-6H,7H2,(H2,11,12)
InChIKeyGDTPIGQXNMUFMV-UHFFFAOYSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-ethynylphenyl)acetamide 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-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343
1-ethynyl-2-[(2-ethynylphenyl)methylsulfanylmethyl]benzene
CID 175242226
3-(2-ethynylphenyl)propanal
CID 119081838
2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide
CID 139707024
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
2-[2-(2-chlorophenyl)phenyl]acetamide
CID 46212314
2-bromo-3-(2-cyanophenyl)propanamide
CID 104513026
1-ethyl-2-ethynylbenzene;7-thiabicyclo[2.2.1]hepta-1,3,5-triene
CID 175275866
1-ethynyl-2-(methylsulfanylmethyl)benzene
CID 129210852
2-(2-propan-2-ylphenyl)acetamide
CID 22163985
2-[2-(difluoromethyl)phenyl]acetamide
CID 175751823

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynylphenyl)acetamide?
The IUPAC name of 2-(2-ethynylphenyl)acetamide (CID 53342997) is 2-(2-ethynylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethynylphenyl)acetamide?
The canonical SMILES for 2-(2-ethynylphenyl)acetamide is C#Cc1ccccc1CC(N)=O.
What is the InChIKey of 2-(2-ethynylphenyl)acetamide?
The InChIKey is GDTPIGQXNMUFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-8-5-3-4-6-9(8)7-10(11)12/h1,3-6H,7H2,(H2,11,12).
What are the key properties of 2-(2-ethynylphenyl)acetamide?
2-(2-ethynylphenyl)acetamide has a molecular weight of 159.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynylphenyl)acetamide is sourced from PubChem (CID 53342997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).