1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]

C19H19Cl2FN2 — CID 11417210

IUPAC1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(Cc3ccc(Cl)c(Cl)c3)CC1)CN2
InChIInChI=1S/C19H19Cl2FN2/c20-16-3-1-13(9-17(16)21)11-24-7-5-19(6-8-24)12-23-18-4-2-14(22)10-15(18)19/h1-4,9-10,23H,5-8,11-12H2
InChIKeyKUJOXKKZWATKIW-UHFFFAOYSA-N
MW365.28 g/mol
LogP5.09
Rot. Bonds2

About 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]

1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 11417210) has the molecular formula C19H19Cl2FN2 and a molecular weight of 365.28 g/mol. Its IUPAC name is 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID11417210
Molecular FormulaC19H19Cl2FN2
Molecular Weight365.28 g/mol
Exact Mass364.09
IUPAC Name1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(Cc3ccc(Cl)c(Cl)c3)CC1)CN2
InChIInChI=1S/C19H19Cl2FN2/c20-16-3-1-13(9-17(16)21)11-24-7-5-19(6-8-24)12-23-18-4-2-14(22)10-15(18)19/h1-4,9-10,23H,5-8,11-12H2
InChIKeyKUJOXKKZWATKIW-UHFFFAOYSA-N
XLogP5.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.28
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-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'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] (CID 11417210) is 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] is Fc1ccc2c(c1)C1(CCN(Cc3ccc(Cl)c(Cl)c3)CC1)CN2.
What is the InChIKey of 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is KUJOXKKZWATKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2/c20-16-3-1-13(9-17(16)21)11-24-7-5-19(6-8-24)12-23-18-4-2-14(22)10-15(18)19/h1-4,9-10,23H,5-8,11-12H2.
What are the key properties of 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]?
1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 365.28 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,4-dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 11417210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).