4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide

C10H9ClFNO2 — CID 170797837

IUPAC4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)cc(F)c1O
InChIInChI=1S/C10H9ClFNO2/c11-7-4-6(2-1-3-9(13)14)10(15)8(12)5-7/h1-2,4-5,15H,3H2,(H2,13,14)
InChIKeyJPHXOYXYHMIMFG-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.07
Rot. Bonds3

About 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide

4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide (PubChem CID 170797837) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide
PubChem CID170797837
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC Name4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)cc(F)c1O
InChIInChI=1S/C10H9ClFNO2/c11-7-4-6(2-1-3-9(13)14)10(15)8(12)5-7/h1-2,4-5,15H,3H2,(H2,13,14)
InChIKeyJPHXOYXYHMIMFG-UHFFFAOYSA-N
XLogP2.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide?
The IUPAC name of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide (CID 170797837) is 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide is NC(=O)CC=Cc1cc(Cl)cc(F)c1O.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide?
The InChIKey is JPHXOYXYHMIMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c11-7-4-6(2-1-3-9(13)14)10(15)8(12)5-7/h1-2,4-5,15H,3H2,(H2,13,14).
What are the key properties of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide?
4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide has a molecular weight of 229.64 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2-hydroxyphenyl)but-3-enamide is sourced from PubChem (CID 170797837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).