(2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide

C15H17BrN2O3 — CID 139093343

IUPAC(2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1O[C@@]12C(=O)N(C)c1c(Br)cccc12
InChIInChI=1S/C15H17BrN2O3/c1-4-18(5-2)13(19)12-15(21-12)9-7-6-8-10(16)11(9)17(3)14(15)20/h6-8,12H,4-5H2,1-3H3/t12-,15+/m0/s1
InChIKeyZPOQALVSYBXVRB-SWLSCSKDSA-N
MW353.22 g/mol
LogP1.89
Rot. Bonds3

About (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide

(2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide (PubChem CID 139093343) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
PubChem CID139093343
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name(2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1O[C@@]12C(=O)N(C)c1c(Br)cccc12
InChIInChI=1S/C15H17BrN2O3/c1-4-18(5-2)13(19)12-15(21-12)9-7-6-8-10(16)11(9)17(3)14(15)20/h6-8,12H,4-5H2,1-3H3/t12-,15+/m0/s1
InChIKeyZPOQALVSYBXVRB-SWLSCSKDSA-N
XLogP1.89
TPSA53.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
The IUPAC name of (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide (CID 139093343) is (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide.
What is the SMILES notation for (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
The canonical SMILES for (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide is CCN(CC)C(=O)[C@@H]1O[C@@]12C(=O)N(C)c1c(Br)cccc12.
What is the InChIKey of (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
The InChIKey is ZPOQALVSYBXVRB-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-4-18(5-2)13(19)12-15(21-12)9-7-6-8-10(16)11(9)17(3)14(15)20/h6-8,12H,4-5H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
(2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide is sourced from PubChem (CID 139093343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).