N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide

C12H12FNO2 — CID 90547821

IUPACN-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC#Cc1ccccc1F
InChIInChI=1S/C12H12FNO2/c1-16-9-12(15)14-8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7H,8-9H2,1H3,(H,14,15)
InChIKeyPGCJNGGOMDXTAB-UHFFFAOYSA-N
MW221.23 g/mol
LogP0.94
Rot. Bonds3

About N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide

N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide (PubChem CID 90547821) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
PubChem CID90547821
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC NameN-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC#Cc1ccccc1F
InChIInChI=1S/C12H12FNO2/c1-16-9-12(15)14-8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7H,8-9H2,1H3,(H,14,15)
InChIKeyPGCJNGGOMDXTAB-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide 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-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide
CID 90547946
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90547954
1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea
CID 90552571
1-(2,6-difluorophenyl)-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552580
1-benzyl-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552583
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-iodobenzamide
CID 90547862
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide
CID 90547949
1-[(4-fluorophenyl)methyl]-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552596
4-ethoxy-N-[3-(2-fluorophenyl)prop-2-ynyl]benzamide
CID 90547842
ethyl 4-(2-fluorophenyl)but-3-ynoate
CID 170470652
1-[3-(2-fluorophenyl)prop-2-ynyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90552592

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide (CID 90547821) is N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide is COCC(=O)NCC#Cc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide?
The InChIKey is PGCJNGGOMDXTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-16-9-12(15)14-8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7H,8-9H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide?
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide has a molecular weight of 221.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide is sourced from PubChem (CID 90547821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).