4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide

C11H10FNO3 — CID 170798151

IUPAC4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C11H10FNO3/c12-9-5-7(2-1-3-10(13)15)4-8(6-14)11(9)16/h1-2,4-6,16H,3H2,(H2,13,15)
InChIKeyPCZJOVLIRDDNKW-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.23
Rot. Bonds4

About 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide

4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide (PubChem CID 170798151) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide
PubChem CID170798151
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C11H10FNO3/c12-9-5-7(2-1-3-10(13)15)4-8(6-14)11(9)16/h1-2,4-6,16H,3H2,(H2,13,15)
InChIKeyPCZJOVLIRDDNKW-UHFFFAOYSA-N
XLogP1.23
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Cresotamide
CID 26392
2,6-Diformyl-4-methylphenol
CID 81744
Benzaldehyde, 2-hydroxy-5-methyl-
CID 69184
4-Hydroxy-3-methylbenzaldehyde
CID 139901
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
3,5-Difluoro-2-hydroxybenzaldehyde
CID 2779374
5-Ethyl-2-hydroxybenzaldehyde
CID 6429811

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide?
The IUPAC name of 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide (CID 170798151) is 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide.
What is the SMILES notation for 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide?
The canonical SMILES for 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide is NC(=O)CC=Cc1cc(F)c(O)c(C=O)c1.
What is the InChIKey of 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide?
The InChIKey is PCZJOVLIRDDNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-9-5-7(2-1-3-10(13)15)4-8(6-14)11(9)16/h1-2,4-6,16H,3H2,(H2,13,15).
What are the key properties of 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide?
4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide has a molecular weight of 223.20 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide is sourced from PubChem (CID 170798151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).