6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C24H28ClN3O2 — CID 67287356

IUPAC6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCC(C)CC1NC(C(=O)N(C)C)C(c2ccccc2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C24H28ClN3O2/c1-14(2)12-19-24(17-11-10-16(25)13-18(17)26-23(24)30)20(15-8-6-5-7-9-15)21(27-19)22(29)28(3)4/h5-11,13-14,19-21,27H,12H2,1-4H3,(H,26,30)
InChIKeyVTKYXKHIEFVJSW-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.79
Rot. Bonds4

About 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 67287356) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID67287356
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCC(C)CC1NC(C(=O)N(C)C)C(c2ccccc2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C24H28ClN3O2/c1-14(2)12-19-24(17-11-10-16(25)13-18(17)26-23(24)30)20(15-8-6-5-7-9-15)21(27-19)22(29)28(3)4/h5-11,13-14,19-21,27H,12H2,1-4H3,(H,26,30)
InChIKeyVTKYXKHIEFVJSW-UHFFFAOYSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 67287356) is 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CC(C)CC1NC(C(=O)N(C)C)C(c2ccccc2)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is VTKYXKHIEFVJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-14(2)12-19-24(17-11-10-16(25)13-18(17)26-23(24)30)20(15-8-6-5-7-9-15)21(27-19)22(29)28(3)4/h5-11,13-14,19-21,27H,12H2,1-4H3,(H,26,30).
What are the key properties of 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 67287356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).