4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide

C20H18ClN3O6 — CID 90468081

IUPAC4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
SMILESO=C(CN1C(=O)C2(OCCCO2)c2cc(Cl)ccc21)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H18ClN3O6/c21-13-4-7-16-15(10-13)20(29-8-1-9-30-20)19(27)24(16)11-17(25)22-14-5-2-12(3-6-14)18(26)23-28/h2-7,10,28H,1,8-9,11H2,(H,22,25)(H,23,26)
InChIKeyUHLQPLAOMWXYBZ-UHFFFAOYSA-N
MW431.83 g/mol
LogP2.03
Rot. Bonds4

About 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide

4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide (PubChem CID 90468081) has the molecular formula C20H18ClN3O6 and a molecular weight of 431.83 g/mol. Its IUPAC name is 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
PubChem CID90468081
Molecular FormulaC20H18ClN3O6
Molecular Weight431.83 g/mol
Exact Mass431.09
IUPAC Name4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
SMILESO=C(CN1C(=O)C2(OCCCO2)c2cc(Cl)ccc21)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H18ClN3O6/c21-13-4-7-16-15(10-13)20(29-8-1-9-30-20)19(27)24(16)11-17(25)22-14-5-2-12(3-6-14)18(26)23-28/h2-7,10,28H,1,8-9,11H2,(H,22,25)(H,23,26)
InChIKeyUHLQPLAOMWXYBZ-UHFFFAOYSA-N
XLogP2.03
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 52.03
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

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
N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
CID 90468078
N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
CID 90468079
4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 122182039
2-(2'-oxospiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)-N-(2-phenylethyl)acetamide
CID 3240781
2-(5'-chloro-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
CID 71602397
2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
CID 71603240
4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 122182038
N-(2-aminophenyl)-4-[3-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)propanoylamino]benzamide
CID 132569672
1'-(2-(3-Chlorophenyl)-2-oxoethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 134139065
N-(2-aminophenyl)-4-[[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]methyl]benzamide
CID 137643760

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide (CID 90468081) is 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide is O=C(CN1C(=O)C2(OCCCO2)c2cc(Cl)ccc21)Nc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?
The InChIKey is UHLQPLAOMWXYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O6/c21-13-4-7-16-15(10-13)20(29-8-1-9-30-20)19(27)24(16)11-17(25)22-14-5-2-12(3-6-14)18(26)23-28/h2-7,10,28H,1,8-9,11H2,(H,22,25)(H,23,26).
What are the key properties of 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?
4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide has a molecular weight of 431.83 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 90468081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).