(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide

C17H12Cl2N2O2 — CID 122514325

IUPAC(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1-n1cc2cc(Cl)c(Cl)cc2c1)NO
InChIInChI=1S/C17H12Cl2N2O2/c18-14-7-12-9-21(10-13(12)8-15(14)19)16-4-2-1-3-11(16)5-6-17(22)20-23/h1-10,23H,(H,20,22)/b6-5+
InChIKeySYBRWIYTPWLRMD-AATRIKPKSA-N
MW347.20 g/mol
LogP4.46
Rot. Bonds3

About (E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 122514325) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is (E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID122514325
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1-n1cc2cc(Cl)c(Cl)cc2c1)NO
InChIInChI=1S/C17H12Cl2N2O2/c18-14-7-12-9-21(10-13(12)8-15(14)19)16-4-2-1-3-11(16)5-6-17(22)20-23/h1-10,23H,(H,20,22)/b6-5+
InChIKeySYBRWIYTPWLRMD-AATRIKPKSA-N
XLogP4.46
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide (CID 122514325) is (E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccccc1-n1cc2cc(Cl)c(Cl)cc2c1)NO.
What is the InChIKey of (E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is SYBRWIYTPWLRMD-AATRIKPKSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-14-7-12-9-21(10-13(12)8-15(14)19)16-4-2-1-3-11(16)5-6-17(22)20-23/h1-10,23H,(H,20,22)/b6-5+.
What are the key properties of (E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 347.20 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 122514325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).