N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide

C14H13FN4O2 — CID 115348470

IUPACN-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(F)cc1C#CCCO
InChIInChI=1S/C14H13FN4O2/c15-12-4-5-13(11(9-12)3-1-2-8-20)17-14(21)10-19-7-6-16-18-19/h4-7,9,20H,2,8,10H2,(H,17,21)
InChIKeyFUIMSSXKHACHGD-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.79
Rot. Bonds4

About N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide

N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide (PubChem CID 115348470) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
PubChem CID115348470
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC NameN-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(F)cc1C#CCCO
InChIInChI=1S/C14H13FN4O2/c15-12-4-5-13(11(9-12)3-1-2-8-20)17-14(21)10-19-7-6-16-18-19/h4-7,9,20H,2,8,10H2,(H,17,21)
InChIKeyFUIMSSXKHACHGD-UHFFFAOYSA-N
XLogP0.79
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)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

N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348490
N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
CID 103097798
3-fluoro-4-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291663
1-ethyl-3-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-1-methylurea
CID 79162478
2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60804365
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
CID 62688853
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]propane-2-sulfonamide
CID 60864580
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348507
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-(triazol-1-yl)propanamide
CID 82747458
3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740211
N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide
CID 79766967
N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
CID 75448832

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide (CID 115348470) is N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)Nc1ccc(F)cc1C#CCCO.
What is the InChIKey of N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide?
The InChIKey is FUIMSSXKHACHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-12-4-5-13(11(9-12)3-1-2-8-20)17-14(21)10-19-7-6-16-18-19/h4-7,9,20H,2,8,10H2,(H,17,21).
What are the key properties of N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide?
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide has a molecular weight of 288.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 115348470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).