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

C13H14FNO3 — CID 104780644

IUPACN-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(F)c(C#CCCO)c1
InChIInChI=1S/C13H14FNO3/c1-18-9-13(17)15-11-5-6-12(14)10(8-11)4-2-3-7-16/h5-6,8,16H,3,7,9H2,1H3,(H,15,17)
InChIKeyINLRHGKDNUJEGC-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.14
Rot. Bonds4

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

N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide (PubChem CID 104780644) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide
PubChem CID104780644
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC NameN-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(F)c(C#CCCO)c1
InChIInChI=1S/C13H14FNO3/c1-18-9-13(17)15-11-5-6-12(14)10(8-11)4-2-3-7-16/h5-6,8,16H,3,7,9H2,1H3,(H,15,17)
InChIKeyINLRHGKDNUJEGC-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-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

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methoxyacetamide
CID 113452395
methyl N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 104780900
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide
CID 65432741
2-ethoxy-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 104780485
methyl N-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]sulfamoyl]carbamate
CID 114465765
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 104780641
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]ethanesulfonamide
CID 104780935
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922448
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide
CID 62590421
2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688742
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide
CID 104780549

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide (CID 104780644) is N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(F)c(C#CCCO)c1.
What is the InChIKey of N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide?
The InChIKey is INLRHGKDNUJEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-18-9-13(17)15-11-5-6-12(14)10(8-11)4-2-3-7-16/h5-6,8,16H,3,7,9H2,1H3,(H,15,17).
What are the key properties of N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide?
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide has a molecular weight of 251.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 104780644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).