1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]

C26H26ClFN2 — CID 57095739

IUPAC1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(CCc3ccccc3)CC1)CN2c1ccc(Cl)cc1
InChIInChI=1S/C26H26ClFN2/c27-21-6-9-23(10-7-21)30-19-26(24-18-22(28)8-11-25(24)30)13-16-29(17-14-26)15-12-20-4-2-1-3-5-20/h1-11,18H,12-17,19H2
InChIKeyDJMLPKFCYISZDW-UHFFFAOYSA-N
MW420.96 g/mol
LogP6.21
Rot. Bonds4

About 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]

1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 57095739) has the molecular formula C26H26ClFN2 and a molecular weight of 420.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]
PubChem CID57095739
Molecular FormulaC26H26ClFN2
Molecular Weight420.96 g/mol
Exact Mass420.18
IUPAC Name1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(CCc3ccccc3)CC1)CN2c1ccc(Cl)cc1
InChIInChI=1S/C26H26ClFN2/c27-21-6-9-23(10-7-21)30-19-26(24-18-22(28)8-11-25(24)30)13-16-29(17-14-26)15-12-20-4-2-1-3-5-20/h1-11,18H,12-17,19H2
InChIKeyDJMLPKFCYISZDW-UHFFFAOYSA-N
XLogP6.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.96
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine] 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-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine] (CID 57095739) is 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine] is Fc1ccc2c(c1)C1(CCN(CCc3ccccc3)CC1)CN2c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is DJMLPKFCYISZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN2/c27-21-6-9-23(10-7-21)30-19-26(24-18-22(28)8-11-25(24)30)13-16-29(17-14-26)15-12-20-4-2-1-3-5-20/h1-11,18H,12-17,19H2.
What are the key properties of 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]?
1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 420.96 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-fluoro-1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 57095739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).