N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide

C15H13N3O4 — CID 97087687

IUPACN-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide
SMILESO=C(NN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H13N3O4/c19-14-12(6-3-7-13(14)18(21)22)15(20)16-17-8-10-4-1-2-5-11(10)9-17/h1-7,19H,8-9H2,(H,16,20)
InChIKeySRYZABNVRCBADI-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.96
Rot. Bonds3

About N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide

N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide (PubChem CID 97087687) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide
PubChem CID97087687
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide
SMILESO=C(NN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H13N3O4/c19-14-12(6-3-7-13(14)18(21)22)15(20)16-17-8-10-4-1-2-5-11(10)9-17/h1-7,19H,8-9H2,(H,16,20)
InChIKeySRYZABNVRCBADI-UHFFFAOYSA-N
XLogP1.96
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
2-nitro-N-piperidin-1-ylbenzamide
CID 17163930
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-hydroxy-3-nitrobenzamide
CID 99628312
2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide
CID 103800178
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
N-but-3-ynyl-2-hydroxy-3-nitrobenzamide
CID 113264555
1-(2-hydroxy-3-nitrophenyl)-3-(4-nitrophenyl)propane-1,3-dione
CID 10449289
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419
2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 12962786
(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone
CID 141362308

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide (CID 97087687) is N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide is O=C(NN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide?
The InChIKey is SRYZABNVRCBADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14-12(6-3-7-13(14)18(21)22)15(20)16-17-8-10-4-1-2-5-11(10)9-17/h1-7,19H,8-9H2,(H,16,20).
What are the key properties of N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide?
N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide has a molecular weight of 299.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 97087687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).