N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide

C19H21N3O3 — CID 88849472

IUPACN-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide
SMILESCc1ccc(N2C(=O)CC(Nc3ccc(C(=O)NO)cc3)[C@H]2C)cc1
InChIInChI=1S/C19H21N3O3/c1-12-3-9-16(10-4-12)22-13(2)17(11-18(22)23)20-15-7-5-14(6-8-15)19(24)21-25/h3-10,13,17,20,25H,11H2,1-2H3,(H,21,24)/t13-,17?/m1/s1
InChIKeyQRVSLYVHADZEGG-FWJOYPJLSA-N
MW339.40 g/mol
LogP2.72
Rot. Bonds4

About N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide

N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide (PubChem CID 88849472) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide
PubChem CID88849472
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide
SMILESCc1ccc(N2C(=O)CC(Nc3ccc(C(=O)NO)cc3)[C@H]2C)cc1
InChIInChI=1S/C19H21N3O3/c1-12-3-9-16(10-4-12)22-13(2)17(11-18(22)23)20-15-7-5-14(6-8-15)19(24)21-25/h3-10,13,17,20,25H,11H2,1-2H3,(H,21,24)/t13-,17?/m1/s1
InChIKeyQRVSLYVHADZEGG-FWJOYPJLSA-N
XLogP2.72
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.72
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-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide?
The IUPAC name of N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide (CID 88849472) is N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide?
The canonical SMILES for N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide is Cc1ccc(N2C(=O)CC(Nc3ccc(C(=O)NO)cc3)[C@H]2C)cc1.
What is the InChIKey of N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide?
The InChIKey is QRVSLYVHADZEGG-FWJOYPJLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-3-9-16(10-4-12)22-13(2)17(11-18(22)23)20-15-7-5-14(6-8-15)19(24)21-25/h3-10,13,17,20,25H,11H2,1-2H3,(H,21,24)/t13-,17?/m1/s1.
What are the key properties of N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide?
N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide is sourced from PubChem (CID 88849472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).