(2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide

C24H27Cl2N3O2 — CID 91498428

IUPAC(2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCCCCN1C(=O)C2(CN[C@@H](C(=O)N(C)C)[C@@H]2c2cccc(Cl)c2)c2ccc(Cl)cc21
InChIInChI=1S/C24H27Cl2N3O2/c1-4-5-11-29-19-13-17(26)9-10-18(19)24(23(29)31)14-27-21(22(30)28(2)3)20(24)15-7-6-8-16(25)12-15/h6-10,12-13,20-21,27H,4-5,11,14H2,1-3H3/t20-,21+,24?/m0/s1
InChIKeyOTNBCPQULIXTKE-LDJQHZOJSA-N
MW460.41 g/mol
LogP4.22
Rot. Bonds5

About (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide

(2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 91498428) has the molecular formula C24H27Cl2N3O2 and a molecular weight of 460.41 g/mol. Its IUPAC name is (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID91498428
Molecular FormulaC24H27Cl2N3O2
Molecular Weight460.41 g/mol
Exact Mass459.15
IUPAC Name(2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCCCCN1C(=O)C2(CN[C@@H](C(=O)N(C)C)[C@@H]2c2cccc(Cl)c2)c2ccc(Cl)cc21
InChIInChI=1S/C24H27Cl2N3O2/c1-4-5-11-29-19-13-17(26)9-10-18(19)24(23(29)31)14-27-21(22(30)28(2)3)20(24)15-7-6-8-16(25)12-15/h6-10,12-13,20-21,27H,4-5,11,14H2,1-3H3/t20-,21+,24?/m0/s1
InChIKeyOTNBCPQULIXTKE-LDJQHZOJSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S,4R)-1-butyl-4-(3-chlorophenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
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ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide (CID 91498428) is (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide is CCCCN1C(=O)C2(CN[C@@H](C(=O)N(C)C)[C@@H]2c2cccc(Cl)c2)c2ccc(Cl)cc21.
What is the InChIKey of (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is OTNBCPQULIXTKE-LDJQHZOJSA-N. The full InChI is InChI=1S/C24H27Cl2N3O2/c1-4-5-11-29-19-13-17(26)9-10-18(19)24(23(29)31)14-27-21(22(30)28(2)3)20(24)15-7-6-8-16(25)12-15/h6-10,12-13,20-21,27H,4-5,11,14H2,1-3H3/t20-,21+,24?/m0/s1.
What are the key properties of (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide?
(2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 460.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 91498428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).