(E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide

C9H7Cl2NO2 — CID 11708451

IUPAC(E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NO
InChIInChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+
InChIKeyLHTLDFWBUPYUDR-DUXPYHPUSA-N
MW232.07 g/mol
LogP2.51
Rot. Bonds2

About (E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide (PubChem CID 11708451) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide
PubChem CID11708451
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NO
InChIInChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+
InChIKeyLHTLDFWBUPYUDR-DUXPYHPUSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.51
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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Related Compounds

(2E)-3-(4-Chlorophenyl)-N-hydroxyacrylamide
CID 11694089
(2E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
(2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide
CID 5924112
N-Hydroxy-E-3-(4''-chlorobiphenyl-4-yl)-acrylamide
CID 15986508
(2E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide
CID 24860344
(~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide
CID 53374623
(2E,4E)-5-(4-Chlorophenyl)-N-hydroxy-2,4-pentadienamide
CID 11651487
(2E,4E)-5-(4-chlorophenyl)-N-hydroxy-4-methylpenta-2,4-dienamide
CID 11687325
3-(2,4-dichlorophenyl)-N-hydroxypropanamide
CID 11637231
(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enehydroxamic acid
CID 118726031
(E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide
CID 166628632
(E)-3-(2,4-dichlorophenyl)but-2-enamide
CID 138683296

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide (CID 11708451) is (E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NO.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide?
The InChIKey is LHTLDFWBUPYUDR-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/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-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide has a molecular weight of 232.07 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11708451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).