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

C18H24ClN3O2 — CID 58710844

IUPAC(2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCC(C)C[C@H]1N[C@@H](C(=O)N(C)C)C[C@@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C18H24ClN3O2/c1-10(2)7-15-18(9-14(20-15)16(23)22(3)4)12-6-5-11(19)8-13(12)21-17(18)24/h5-6,8,10,14-15,20H,7,9H2,1-4H3,(H,21,24)/t14-,15-,18+/m1/s1
InChIKeyBTGYCGASXAKZQW-RKVPGOIHSA-N
MW349.86 g/mol
LogP2.39
Rot. Bonds3

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

(2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 58710844) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID58710844
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name(2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCC(C)C[C@H]1N[C@@H](C(=O)N(C)C)C[C@@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C18H24ClN3O2/c1-10(2)7-15-18(9-14(20-15)16(23)22(3)4)12-6-5-11(19)8-13(12)21-17(18)24/h5-6,8,10,14-15,20H,7,9H2,1-4H3,(H,21,24)/t14-,15-,18+/m1/s1
InChIKeyBTGYCGASXAKZQW-RKVPGOIHSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67287356
6-chloro-3'-(4-chlorophenyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67287374
(2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 59385560
tert-butyl 6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 123776327
(4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91136694
(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68904501
(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;2,2,2-trifluoroacetic acid
CID 71722774
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
CID 143538635
6-chloro-3'-(4-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66632915
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
2'-amino-6-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84719127

Frequently Asked Questions

What is the IUPAC name of (2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 58710844) is (2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CC(C)C[C@H]1N[C@@H](C(=O)N(C)C)C[C@@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is BTGYCGASXAKZQW-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-10(2)7-15-18(9-14(20-15)16(23)22(3)4)12-6-5-11(19)8-13(12)21-17(18)24/h5-6,8,10,14-15,20H,7,9H2,1-4H3,(H,21,24)/t14-,15-,18+/m1/s1.
What are the key properties of (2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
(2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 58710844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).