N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide

C19H17ClN2O4 — CID 5115287

IUPACN-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
SMILESO=C(CN1C(=O)C2(OCCCO2)c2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O4/c20-14-7-2-3-8-15(14)21-17(23)12-22-16-9-4-1-6-13(16)19(18(22)24)25-10-5-11-26-19/h1-4,6-9H,5,10-12H2,(H,21,23)
InChIKeyCCGGRMIJUYSPFS-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.91
Rot. Bonds3

About N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide

N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide (PubChem CID 5115287) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
PubChem CID5115287
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
SMILESO=C(CN1C(=O)C2(OCCCO2)c2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O4/c20-14-7-2-3-8-15(14)21-17(23)12-22-16-9-4-1-6-13(16)19(18(22)24)25-10-5-11-26-19/h1-4,6-9H,5,10-12H2,(H,21,23)
InChIKeyCCGGRMIJUYSPFS-UHFFFAOYSA-N
XLogP2.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide (CID 5115287) is N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide is O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
The InChIKey is CCGGRMIJUYSPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-14-7-2-3-8-15(14)21-17(23)12-22-16-9-4-1-6-13(16)19(18(22)24)25-10-5-11-26-19/h1-4,6-9H,5,10-12H2,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide has a molecular weight of 372.81 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide is sourced from PubChem (CID 5115287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).