N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide

C12H12FNO3 — CID 65432741

IUPACN-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C12H12FNO3/c1-17-8-12(16)14-10-5-4-9(3-2-6-15)11(13)7-10/h4-5,7,15H,6,8H2,1H3,(H,14,16)
InChIKeyXXBURLYKZUPQIK-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.75
Rot. Bonds3

About N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide

N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide (PubChem CID 65432741) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide
PubChem CID65432741
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC NameN-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C12H12FNO3/c1-17-8-12(16)14-10-5-4-9(3-2-6-15)11(13)7-10/h4-5,7,15H,6,8H2,1H3,(H,14,16)
InChIKeyXXBURLYKZUPQIK-UHFFFAOYSA-N
XLogP0.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 65434100
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide
CID 104780644
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methoxyacetamide
CID 113452395
2-ethoxy-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 104780485
2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 65434302
1-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propylurea
CID 65435292
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 82766739
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157683
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 65434492
4-chloro-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 65432162

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide (CID 65432741) is N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(C#CCO)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide?
The InChIKey is XXBURLYKZUPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-17-8-12(16)14-10-5-4-9(3-2-6-15)11(13)7-10/h4-5,7,15H,6,8H2,1H3,(H,14,16).
What are the key properties of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide?
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide has a molecular weight of 237.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 65432741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).