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

C33H33Cl2FN4O3 — CID 24788389

IUPAC2-[(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
SMILESCc1ccc(F)cc1[C@H]1N(CC(=O)NC2CCN(C)CC2)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C33H33Cl2FN4O3/c1-19-6-8-23(36)16-25(19)31-33(26-9-7-22(35)15-28(26)38-32(33)43)27(20-4-3-5-21(34)14-20)17-30(42)40(31)18-29(41)37-24-10-12-39(2)13-11-24/h3-9,14-16,24,27,31H,10-13,17-18H2,1-2H3,(H,37,41)(H,38,43)/t27-,31+,33-/m0/s1
InChIKeySWWSAFUJXPOFOB-QOCRQHEPSA-N
MW623.56 g/mol
LogP5.60
Rot. Bonds5

About 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

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 (PubChem CID 24788389) has the molecular formula C33H33Cl2FN4O3 and a molecular weight of 623.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID24788389
Molecular FormulaC33H33Cl2FN4O3
Molecular Weight623.56 g/mol
Exact Mass622.19
IUPAC Name2-[(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
SMILESCc1ccc(F)cc1[C@H]1N(CC(=O)NC2CCN(C)CC2)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C33H33Cl2FN4O3/c1-19-6-8-23(36)16-25(19)31-33(26-9-7-22(35)15-28(26)38-32(33)43)27(20-4-3-5-21(34)14-20)17-30(42)40(31)18-29(41)37-24-10-12-39(2)13-11-24/h3-9,14-16,24,27,31H,10-13,17-18H2,1-2H3,(H,37,41)(H,38,43)/t27-,31+,33-/m0/s1
InChIKeySWWSAFUJXPOFOB-QOCRQHEPSA-N
XLogP5.60
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.56
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(F)cc1[C@H]1N(CC(=O)NC2CCN(C)CC2)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 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?
The InChIKey is SWWSAFUJXPOFOB-QOCRQHEPSA-N. The full InChI is InChI=1S/C33H33Cl2FN4O3/c1-19-6-8-23(36)16-25(19)31-33(26-9-7-22(35)15-28(26)38-32(33)43)27(20-4-3-5-21(34)14-20)17-30(42)40(31)18-29(41)37-24-10-12-39(2)13-11-24/h3-9,14-16,24,27,31H,10-13,17-18H2,1-2H3,(H,37,41)(H,38,43)/t27-,31+,33-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 623.56 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24788389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).