(2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C27H24Cl2F2N2O2 — CID 23959576

IUPAC(2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCOc1ccc2c(c1)C1(CCN(Cc3ccc(F)c(F)c3)CC1)CN2C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C27H24Cl2F2N2O2/c1-35-19-4-7-25-21(14-19)27(16-33(25)26(34)20-5-3-18(28)13-22(20)29)8-10-32(11-9-27)15-17-2-6-23(30)24(31)12-17/h2-7,12-14H,8-11,15-16H2,1H3
InChIKeyBRSAOWMYDNLLKO-UHFFFAOYSA-N
MW517.40 g/mol
LogP6.47
Rot. Bonds4

About (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone

(2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 23959576) has the molecular formula C27H24Cl2F2N2O2 and a molecular weight of 517.40 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
PubChem CID23959576
Molecular FormulaC27H24Cl2F2N2O2
Molecular Weight517.40 g/mol
Exact Mass516.12
IUPAC Name(2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCOc1ccc2c(c1)C1(CCN(Cc3ccc(F)c(F)c3)CC1)CN2C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C27H24Cl2F2N2O2/c1-35-19-4-7-25-21(14-19)27(16-33(25)26(34)20-5-3-18(28)13-22(20)29)8-10-32(11-9-27)15-17-2-6-23(30)24(31)12-17/h2-7,12-14H,8-11,15-16H2,1H3
InChIKeyBRSAOWMYDNLLKO-UHFFFAOYSA-N
XLogP6.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.40
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 23959576) is (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone is COc1ccc2c(c1)C1(CCN(Cc3ccc(F)c(F)c3)CC1)CN2C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The InChIKey is BRSAOWMYDNLLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2F2N2O2/c1-35-19-4-7-25-21(14-19)27(16-33(25)26(34)20-5-3-18(28)13-22(20)29)8-10-32(11-9-27)15-17-2-6-23(30)24(31)12-17/h2-7,12-14H,8-11,15-16H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
(2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 517.40 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[1'-[(3,4-difluorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 23959576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).