2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide

C19H17ClN2O5 — CID 162658728

IUPAC2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide
SMILESO=C(NO)C(OCCCN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O5/c20-13-6-3-5-12(11-13)16(17(23)21-26)27-10-4-9-22-18(24)14-7-1-2-8-15(14)19(22)25/h1-3,5-8,11,16,26H,4,9-10H2,(H,21,23)
InChIKeyMVQRLAQQXSXLMD-UHFFFAOYSA-N
MW388.81 g/mol
LogP2.59
Rot. Bonds7

About 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide

2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide (PubChem CID 162658728) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide
PubChem CID162658728
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Name2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide
SMILESO=C(NO)C(OCCCN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O5/c20-13-6-3-5-12(11-13)16(17(23)21-26)27-10-4-9-22-18(24)14-7-1-2-8-15(14)19(22)25/h1-3,5-8,11,16,26H,4,9-10H2,(H,21,23)
InChIKeyMVQRLAQQXSXLMD-UHFFFAOYSA-N
XLogP2.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide?
The IUPAC name of 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide (CID 162658728) is 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide is O=C(NO)C(OCCCN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide?
The InChIKey is MVQRLAQQXSXLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c20-13-6-3-5-12(11-13)16(17(23)21-26)27-10-4-9-22-18(24)14-7-1-2-8-15(14)19(22)25/h1-3,5-8,11,16,26H,4,9-10H2,(H,21,23).
What are the key properties of 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide?
2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide has a molecular weight of 388.81 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-N-hydroxyacetamide is sourced from PubChem (CID 162658728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).