N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide

C17H17N3O3 — CID 88849490

IUPACN-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide
SMILESO=C(NO)c1ccc(NC2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H17N3O3/c21-16(19-23)12-6-8-13(9-7-12)18-15-10-11-20(17(15)22)14-4-2-1-3-5-14/h1-9,15,18,23H,10-11H2,(H,19,21)
InChIKeyYBSJBWDJGNDIOR-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.02
Rot. Bonds4

About N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide

N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide (PubChem CID 88849490) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide
PubChem CID88849490
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide
SMILESO=C(NO)c1ccc(NC2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H17N3O3/c21-16(19-23)12-6-8-13(9-7-12)18-15-10-11-20(17(15)22)14-4-2-1-3-5-14/h1-9,15,18,23H,10-11H2,(H,19,21)
InChIKeyYBSJBWDJGNDIOR-UHFFFAOYSA-N
XLogP2.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide?
The IUPAC name of N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide (CID 88849490) is N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide is O=C(NO)c1ccc(NC2CCN(c3ccccc3)C2=O)cc1.
What is the InChIKey of N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide?
The InChIKey is YBSJBWDJGNDIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16(19-23)12-6-8-13(9-7-12)18-15-10-11-20(17(15)22)14-4-2-1-3-5-14/h1-9,15,18,23H,10-11H2,(H,19,21).
What are the key properties of N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide?
N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 88849490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).