2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide

C30H27Cl2N3O3 — CID 74371670

IUPAC2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide
SMILESCc1ccccc1C1N(CC(=O)NC2CC2)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H27Cl2N3O3/c1-17-5-2-3-8-22(17)28-30(23-12-9-20(32)14-25(23)34-29(30)38)24(18-6-4-7-19(31)13-18)15-27(37)35(28)16-26(36)33-21-10-11-21/h2-9,12-14,21,24,28H,10-11,15-16H2,1H3,(H,33,36)(H,34,38)
InChIKeyMXBBOBUFOIUWSC-UHFFFAOYSA-N
MW548.47 g/mol
LogP5.53
Rot. Bonds5

About 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide

2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide (PubChem CID 74371670) has the molecular formula C30H27Cl2N3O3 and a molecular weight of 548.47 g/mol. Its IUPAC name is 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide
PubChem CID74371670
Molecular FormulaC30H27Cl2N3O3
Molecular Weight548.47 g/mol
Exact Mass547.14
IUPAC Name2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide
SMILESCc1ccccc1C1N(CC(=O)NC2CC2)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H27Cl2N3O3/c1-17-5-2-3-8-22(17)28-30(23-12-9-20(32)14-25(23)34-29(30)38)24(18-6-4-7-19(31)13-18)15-27(37)35(28)16-26(36)33-21-10-11-21/h2-9,12-14,21,24,28H,10-11,15-16H2,1H3,(H,33,36)(H,34,38)
InChIKeyMXBBOBUFOIUWSC-UHFFFAOYSA-N
XLogP5.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.47
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
(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
(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
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
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
2-[(3R,6'R,8'S)-6'-but-1-en-2-yl-6-chloro-8'-(3-chlorophenyl)-2,3'-dioxospiro[1H-indole-3,7'-4,6,8,9-tetrahydropyrido[2,1-c][1,2,4]triazine]-2'-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 59557360
1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183585
1'-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183541
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
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide (CID 74371670) is 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide is Cc1ccccc1C1N(CC(=O)NC2CC2)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide?
The InChIKey is MXBBOBUFOIUWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N3O3/c1-17-5-2-3-8-22(17)28-30(23-12-9-20(32)14-25(23)34-29(30)38)24(18-6-4-7-19(31)13-18)15-27(37)35(28)16-26(36)33-21-10-11-21/h2-9,12-14,21,24,28H,10-11,15-16H2,1H3,(H,33,36)(H,34,38).
What are the key properties of 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide?
2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide has a molecular weight of 548.47 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 74371670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).