N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide

C19H17N3O6 — CID 90468078

IUPACN-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H17N3O6/c23-16(20-13-7-5-12(6-8-13)17(24)21-26)11-22-15-4-2-1-3-14(15)19(18(22)25)27-9-10-28-19/h1-8,26H,9-11H2,(H,20,23)(H,21,24)
InChIKeyCPXFYHOXCAANLD-UHFFFAOYSA-N
MW383.36 g/mol
LogP0.99
Rot. Bonds4

About N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide

N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide (PubChem CID 90468078) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
PubChem CID90468078
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC NameN-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H17N3O6/c23-16(20-13-7-5-12(6-8-13)17(24)21-26)11-22-15-4-2-1-3-14(15)19(18(22)25)27-9-10-28-19/h1-8,26H,9-11H2,(H,20,23)(H,21,24)
InChIKeyCPXFYHOXCAANLD-UHFFFAOYSA-N
XLogP0.99
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

1'-(2-Oxo-2-phenylethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 691242
4-[4-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)butanoylamino]-N-hydroxybenzamide
CID 90465904
4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybutanamide
CID 90467932
6-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyhexanamide
CID 90467933
4-[[2-(5'-fluoro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 90467935
4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 90467936
4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 90467937
N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
CID 90468079
4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 90468081
4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 122182039
4-[3-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)propanoylamino]-N-hydroxybenzamide
CID 122182040
2-(2'-Oxospiro[[1,3]dioxolane-2,3'-indolin]-1'-yl)acetohydrazide
CID 3114847

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide?
The IUPAC name of N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide (CID 90468078) is N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide is O=C(CN1C(=O)C2(OCCO2)c2ccccc21)Nc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide?
The InChIKey is CPXFYHOXCAANLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c23-16(20-13-7-5-12(6-8-13)17(24)21-26)11-22-15-4-2-1-3-14(15)19(18(22)25)27-9-10-28-19/h1-8,26H,9-11H2,(H,20,23)(H,21,24).
What are the key properties of N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide?
N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide has a molecular weight of 383.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide is sourced from PubChem (CID 90468078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).