3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide

C18H15ClN2O4 — CID 167770120

IUPAC3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide
SMILESO=C1CCC(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C(=O)N1
InChIInChI=1S/C18H15ClN2O4/c19-13-9-11(10-4-2-1-3-5-10)8-12(16(13)23)17(24)20-14-6-7-15(22)21-18(14)25/h1-5,8-9,14,23H,6-7H2,(H,20,24)(H,21,22,25)
InChIKeyJDTBOPZGPLSWMT-UHFFFAOYSA-N
MW358.78 g/mol
LogP2.25
Rot. Bonds3

About 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide

3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide (PubChem CID 167770120) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide
PubChem CID167770120
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide
SMILESO=C1CCC(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C(=O)N1
InChIInChI=1S/C18H15ClN2O4/c19-13-9-11(10-4-2-1-3-5-10)8-12(16(13)23)17(24)20-14-6-7-15(22)21-18(14)25/h1-5,8-9,14,23H,6-7H2,(H,20,24)(H,21,22,25)
InChIKeyJDTBOPZGPLSWMT-UHFFFAOYSA-N
XLogP2.25
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide?
The IUPAC name of 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide (CID 167770120) is 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide.
What is the SMILES notation for 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide?
The canonical SMILES for 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide is O=C1CCC(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C(=O)N1.
What is the InChIKey of 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide?
The InChIKey is JDTBOPZGPLSWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-13-9-11(10-4-2-1-3-5-10)8-12(16(13)23)17(24)20-14-6-7-15(22)21-18(14)25/h1-5,8-9,14,23H,6-7H2,(H,20,24)(H,21,22,25).
What are the key properties of 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide?
3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide has a molecular weight of 358.78 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide is sourced from PubChem (CID 167770120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).