4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide

C16H15FN2O3 — CID 167054719

IUPAC4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide
SMILES[H]/N=C(\CCC(N)=O)c1ccc(-c2cc(O)ccc2O)c(F)c1
InChIInChI=1S/C16H15FN2O3/c17-13-7-9(14(18)4-6-16(19)22)1-3-11(13)12-8-10(20)2-5-15(12)21/h1-3,5,7-8,18,20-21H,4,6H2,(H2,19,22)/b18-14+
InChIKeyKOOJOVUKZFJNLP-NBVRZTHBSA-N
MW302.31 g/mol
LogP2.54
Rot. Bonds5

About 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide

4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide (PubChem CID 167054719) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide.

Molecular Properties

Compound Name4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide
PubChem CID167054719
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide
SMILES[H]/N=C(\CCC(N)=O)c1ccc(-c2cc(O)ccc2O)c(F)c1
InChIInChI=1S/C16H15FN2O3/c17-13-7-9(14(18)4-6-16(19)22)1-3-11(13)12-8-10(20)2-5-15(12)21/h1-3,5,7-8,18,20-21H,4,6H2,(H2,19,22)/b18-14+
InChIKeyKOOJOVUKZFJNLP-NBVRZTHBSA-N
XLogP2.54
TPSA107.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide 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

US11897867, Example 49
CID 137463235
US11897867, Example 50
CID 137473738
3-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 20360730
3-[2-(2-Fluoro-3-hydroxy-4-phenylphenyl)phenyl]propanamide
CID 122555495
3-[2-(2-Fluoro-5-hydroxy-4-phenylphenyl)phenyl]propanamide
CID 122555601
4-(4-Fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide
CID 136928832
4-(4-Fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide
CID 137037598
4-(5-Fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide
CID 137161052
3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473665
3-[4-(2,3-dihydroxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473780
3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473956
3-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473957

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide?
The IUPAC name of 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide (CID 167054719) is 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide.
What is the SMILES notation for 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide?
The canonical SMILES for 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide is [H]/N=C(\CCC(N)=O)c1ccc(-c2cc(O)ccc2O)c(F)c1.
What is the InChIKey of 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide?
The InChIKey is KOOJOVUKZFJNLP-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-13-7-9(14(18)4-6-16(19)22)1-3-11(13)12-8-10(20)2-5-15(12)21/h1-3,5,7-8,18,20-21H,4,6H2,(H2,19,22)/b18-14+.
What are the key properties of 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide?
4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide has a molecular weight of 302.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide is sourced from PubChem (CID 167054719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).