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

C9H7ClN2O4 — CID 24860352

IUPAC(E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1[N+](=O)[O-])NO
InChIInChI=1S/C9H7ClN2O4/c10-7-3-1-6(2-4-9(13)11-14)8(5-7)12(15)16/h1-5,14H,(H,11,13)/b4-2+
InChIKeySQLGBFXKOMALIA-DUXPYHPUSA-N
MW242.62 g/mol
LogP1.77
Rot. Bonds3

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

(E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide (PubChem CID 24860352) has the molecular formula C9H7ClN2O4 and a molecular weight of 242.62 g/mol. Its IUPAC name is (E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide
PubChem CID24860352
Molecular FormulaC9H7ClN2O4
Molecular Weight242.62 g/mol
Exact Mass242.01
IUPAC Name(E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1[N+](=O)[O-])NO
InChIInChI=1S/C9H7ClN2O4/c10-7-3-1-6(2-4-9(13)11-14)8(5-7)12(15)16/h1-5,14H,(H,11,13)/b4-2+
InChIKeySQLGBFXKOMALIA-DUXPYHPUSA-N
XLogP1.77
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.62
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitrophenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide (CID 24860352) is (E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1[N+](=O)[O-])NO.
What is the InChIKey of (E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide?
The InChIKey is SQLGBFXKOMALIA-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H7ClN2O4/c10-7-3-1-6(2-4-9(13)11-14)8(5-7)12(15)16/h1-5,14H,(H,11,13)/b4-2+.
What are the key properties of (E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide?
(E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide has a molecular weight of 242.62 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24860352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).