3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide

C10H8FNO3 — CID 169481983

IUPAC3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)C=Cc1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C10H8FNO3/c11-8-4-6(1-2-9(12)14)3-7(5-13)10(8)15/h1-5,15H,(H2,12,14)
InChIKeySZXJZRHFHNSQCU-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.84
Rot. Bonds3

About 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide

3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide (PubChem CID 169481983) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide
PubChem CID169481983
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)C=Cc1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C10H8FNO3/c11-8-4-6(1-2-9(12)14)3-7(5-13)10(8)15/h1-5,15H,(H2,12,14)
InChIKeySZXJZRHFHNSQCU-UHFFFAOYSA-N
XLogP0.84
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide 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

2,3-Cresotamide
CID 26392
2,6-Diformyl-4-methylphenol
CID 81744
Benzaldehyde, 2-hydroxy-5-methyl-
CID 69184
3-Methylsalicylaldehyde
CID 522777
3-(3-Formyl-4-hydroxyphenyl)propanoic acid
CID 24761802
3-Fluorosalicylaldehyde
CID 587788
2-Hydroxyisophthalaldehyde
CID 345554
Benzaldehyde, 2-hydroxy-5-nonyl-
CID 114222
2-Hydroxy-5-(hydroxymethyl)benzaldehyde
CID 53142
5-Ethyl-2-hydroxybenzaldehyde
CID 6429811
3-Allylsalicylaldehyde
CID 141062
Benzaldehyde, 5-dodecyl-2-hydroxy-
CID 6429810

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide (CID 169481983) is 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide is NC(=O)C=Cc1cc(F)c(O)c(C=O)c1.
What is the InChIKey of 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is SZXJZRHFHNSQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-8-4-6(1-2-9(12)14)3-7(5-13)10(8)15/h1-5,15H,(H2,12,14).
What are the key properties of 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide?
3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 209.18 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 169481983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).