2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene

C29H28Cl2FN3O3 — CID 143538319

IUPAC2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene
SMILESCNC(=O)CN1C(=O)C[C@H](C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1cccc(Cl)c1.Cc1ccc(F)cc1
InChIInChI=1S/C22H21Cl2N3O3.C7H7F/c1-12-8-19(29)27(11-18(28)25-2)20(13-4-3-5-14(23)9-13)22(12)16-7-6-15(24)10-17(16)26-21(22)30;1-6-2-4-7(8)5-3-6/h3-7,9-10,12,20H,8,11H2,1-2H3,(H,25,28)(H,26,30);2-5H,1H3/t12-,20-,22-;/m0./s1
InChIKeyWZYLLROLBASCHA-AUIGEEMLSA-N
MW556.47 g/mol
LogP5.67
Rot. Bonds3

About 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene

2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene (PubChem CID 143538319) has the molecular formula C29H28Cl2FN3O3 and a molecular weight of 556.47 g/mol. Its IUPAC name is 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene
PubChem CID143538319
Molecular FormulaC29H28Cl2FN3O3
Molecular Weight556.47 g/mol
Exact Mass555.15
IUPAC Name2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene
SMILESCNC(=O)CN1C(=O)C[C@H](C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1cccc(Cl)c1.Cc1ccc(F)cc1
InChIInChI=1S/C22H21Cl2N3O3.C7H7F/c1-12-8-19(29)27(11-18(28)25-2)20(13-4-3-5-14(23)9-13)22(12)16-7-6-15(24)10-17(16)26-21(22)30;1-6-2-4-7(8)5-3-6/h3-7,9-10,12,20H,8,11H2,1-2H3,(H,25,28)(H,26,30);2-5H,1H3/t12-,20-,22-;/m0./s1
InChIKeyWZYLLROLBASCHA-AUIGEEMLSA-N
XLogP5.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.47
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetic acid
CID 73315581
2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 24788389
2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide
CID 74371670
3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane
CID 87658868
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1'-methylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68963007
6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212911
(3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 24994219
(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212969
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2,4-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68961944
(3R,4'S,6'R)-6-chloro-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]-4'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 70999497
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 24788928
(6'R,8'S)-6-chloro-8'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,7'-4,6,8,9-tetrahydro-2H-pyrido[2,1-c][1,2,4]triazine]-2,3'-dione
CID 25120793

Frequently Asked Questions

What is the IUPAC name of 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene?
The IUPAC name of 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene (CID 143538319) is 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene?
The canonical SMILES for 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene is CNC(=O)CN1C(=O)C[C@H](C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1cccc(Cl)c1.Cc1ccc(F)cc1.
What is the InChIKey of 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene?
The InChIKey is WZYLLROLBASCHA-AUIGEEMLSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3.C7H7F/c1-12-8-19(29)27(11-18(28)25-2)20(13-4-3-5-14(23)9-13)22(12)16-7-6-15(24)10-17(16)26-21(22)30;1-6-2-4-7(8)5-3-6/h3-7,9-10,12,20H,8,11H2,1-2H3,(H,25,28)(H,26,30);2-5H,1H3/t12-,20-,22-;/m0./s1.
What are the key properties of 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene?
2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene has a molecular weight of 556.47 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2'S,3S,4'S)-6-chloro-2'-(3-chlorophenyl)-4'-methyl-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-methylacetamide;1-fluoro-4-methylbenzene is sourced from PubChem (CID 143538319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).