(1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane]

C28H28Cl2N2 — CID 118718300

IUPAC(1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane]
SMILESCc1ccc2c(c1)C1(CN2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C28H28Cl2N2/c1-18-10-13-26-23(14-18)28(17-31-26)15-19-11-12-20(16-28)32(19)27(21-6-2-4-8-24(21)29)22-7-3-5-9-25(22)30/h2-10,13-14,19-20,27,31H,11-12,15-17H2,1H3/t19-,20+,28?
InChIKeySKNMRDLSLFEXCX-GJOKYCCCSA-N
MW463.45 g/mol
LogP7.38
Rot. Bonds3

About (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane]

(1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 118718300) has the molecular formula C28H28Cl2N2 and a molecular weight of 463.45 g/mol. Its IUPAC name is (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name(1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane]
PubChem CID118718300
Molecular FormulaC28H28Cl2N2
Molecular Weight463.45 g/mol
Exact Mass462.16
IUPAC Name(1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane]
SMILESCc1ccc2c(c1)C1(CN2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C28H28Cl2N2/c1-18-10-13-26-23(14-18)28(17-31-26)15-19-11-12-20(16-28)32(19)27(21-6-2-4-8-24(21)29)22-7-3-5-9-25(22)30/h2-10,13-14,19-20,27,31H,11-12,15-17H2,1H3/t19-,20+,28?
InChIKeySKNMRDLSLFEXCX-GJOKYCCCSA-N
XLogP7.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane] (CID 118718300) is (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane] is Cc1ccc2c(c1)C1(CN2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is SKNMRDLSLFEXCX-GJOKYCCCSA-N. The full InChI is InChI=1S/C28H28Cl2N2/c1-18-10-13-26-23(14-18)28(17-31-26)15-19-11-12-20(16-28)32(19)27(21-6-2-4-8-24(21)29)22-7-3-5-9-25(22)30/h2-10,13-14,19-20,27,31H,11-12,15-17H2,1H3/t19-,20+,28?.
What are the key properties of (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane]?
(1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 463.45 g/mol, XLogP of 7.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R)-8'-[bis(2-chlorophenyl)methyl]-5-methylspiro[1,2-dihydroindole-3,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 118718300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).