(E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide

C9H7ClFNO2 — CID 24860344

IUPAC(E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1F)NO
InChIInChI=1S/C9H7ClFNO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+
InChIKeyKXZJNORZIFWCEQ-DUXPYHPUSA-N
MW215.61 g/mol
LogP2.00
Rot. Bonds2

About (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide

(E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide (PubChem CID 24860344) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide
PubChem CID24860344
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC Name(E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1F)NO
InChIInChI=1S/C9H7ClFNO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+
InChIKeyKXZJNORZIFWCEQ-DUXPYHPUSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide (CID 24860344) is (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1F)NO.
What is the InChIKey of (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide?
The InChIKey is KXZJNORZIFWCEQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+.
What are the key properties of (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide?
(E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide has a molecular weight of 215.61 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24860344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).