4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide

C15H12FN3O2 — CID 106897465

IUPAC4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnn1)c1ccc(F)cc1C#CCO
InChIInChI=1S/C15H12FN3O2/c16-12-5-6-14(11(9-12)3-2-8-20)15(21)17-10-13-4-1-7-18-19-13/h1,4-7,9,20H,8,10H2,(H,17,21)
InChIKeyJGUQRQXJQCSROY-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.89
Rot. Bonds3

About 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide (PubChem CID 106897465) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide
PubChem CID106897465
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnn1)c1ccc(F)cc1C#CCO
InChIInChI=1S/C15H12FN3O2/c16-12-5-6-14(11(9-12)3-2-8-20)15(21)17-10-13-4-1-7-18-19-13/h1,4-7,9,20H,8,10H2,(H,17,21)
InChIKeyJGUQRQXJQCSROY-UHFFFAOYSA-N
XLogP0.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide 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

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422360
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821335
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283821
N-(3-amino-3-oxopropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60821465
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816119
2-(3-aminoprop-1-ynyl)-5-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106897509
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106897516
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylpropyl)benzamide
CID 63960542
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821336
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide (CID 106897465) is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide is O=C(NCc1cccnn1)c1ccc(F)cc1C#CCO.
What is the InChIKey of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide?
The InChIKey is JGUQRQXJQCSROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-5-6-14(11(9-12)3-2-8-20)15(21)17-10-13-4-1-7-18-19-13/h1,4-7,9,20H,8,10H2,(H,17,21).
What are the key properties of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide?
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide has a molecular weight of 285.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 106897465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).