3-(4-chlorophenyl)-N-hydroxyprop-2-enamide

C9H8ClNO2 — CID 71357445

IUPAC3-(4-chlorophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NO
InChIInChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)
InChIKeyYPYUWBDOEMPXSK-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.86
Rot. Bonds2

About 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide

3-(4-chlorophenyl)-N-hydroxyprop-2-enamide (PubChem CID 71357445) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-hydroxyprop-2-enamide
PubChem CID71357445
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name3-(4-chlorophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NO
InChIInChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)
InChIKeyYPYUWBDOEMPXSK-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.86
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 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide (CID 71357445) is 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NO.
What is the InChIKey of 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide?
The InChIKey is YPYUWBDOEMPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12).
What are the key properties of 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide?
3-(4-chlorophenyl)-N-hydroxyprop-2-enamide has a molecular weight of 197.62 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71357445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).