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

C19H16ClN3O6 — CID 90467936

IUPAC4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
SMILESO=C(CN1C(=O)C2(OCCO2)c2cc(Cl)ccc21)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H16ClN3O6/c20-12-3-6-15-14(9-12)19(28-7-8-29-19)18(26)23(15)10-16(24)21-13-4-1-11(2-5-13)17(25)22-27/h1-6,9,27H,7-8,10H2,(H,21,24)(H,22,25)
InChIKeyHZLMYJQOVVAAQU-UHFFFAOYSA-N
MW417.81 g/mol
LogP1.64
Rot. Bonds4

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

4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide (PubChem CID 90467936) has the molecular formula C19H16ClN3O6 and a molecular weight of 417.81 g/mol. Its IUPAC name is 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
PubChem CID90467936
Molecular FormulaC19H16ClN3O6
Molecular Weight417.81 g/mol
Exact Mass417.07
IUPAC Name4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
SMILESO=C(CN1C(=O)C2(OCCO2)c2cc(Cl)ccc21)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H16ClN3O6/c20-12-3-6-15-14(9-12)19(28-7-8-29-19)18(26)23(15)10-16(24)21-13-4-1-11(2-5-13)17(25)22-27/h1-6,9,27H,7-8,10H2,(H,21,24)(H,22,25)
InChIKeyHZLMYJQOVVAAQU-UHFFFAOYSA-N
XLogP1.64
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.81
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide (CID 90467936) is 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide is O=C(CN1C(=O)C2(OCCO2)c2cc(Cl)ccc21)Nc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?
The InChIKey is HZLMYJQOVVAAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O6/c20-12-3-6-15-14(9-12)19(28-7-8-29-19)18(26)23(15)10-16(24)21-13-4-1-11(2-5-13)17(25)22-27/h1-6,9,27H,7-8,10H2,(H,21,24)(H,22,25).
What are the key properties of 4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?
4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide has a molecular weight of 417.81 g/mol, XLogP of 1.64, 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-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 90467936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).