1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]

C21H22ClFN2 — CID 58046534

IUPAC1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(Cl)cc3)CC1)CN2
InChIInChI=1S/C21H22ClFN2/c22-17-5-3-16(4-6-17)2-1-11-25-12-9-21(10-13-25)15-24-20-8-7-18(23)14-19(20)21/h1-8,14,24H,9-13,15H2/b2-1+
InChIKeyDISPPDHCSOHOAW-OWOJBTEDSA-N
MW356.87 g/mol
LogP4.95
Rot. Bonds3

About 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]

1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 58046534) has the molecular formula C21H22ClFN2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID58046534
Molecular FormulaC21H22ClFN2
Molecular Weight356.87 g/mol
Exact Mass356.15
IUPAC Name1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(Cl)cc3)CC1)CN2
InChIInChI=1S/C21H22ClFN2/c22-17-5-3-16(4-6-17)2-1-11-25-12-9-21(10-13-25)15-24-20-8-7-18(23)14-19(20)21/h1-8,14,24H,9-13,15H2/b2-1+
InChIKeyDISPPDHCSOHOAW-OWOJBTEDSA-N
XLogP4.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] (CID 58046534) is 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] is Fc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(Cl)cc3)CC1)CN2.
What is the InChIKey of 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is DISPPDHCSOHOAW-OWOJBTEDSA-N. The full InChI is InChI=1S/C21H22ClFN2/c22-17-5-3-16(4-6-17)2-1-11-25-12-9-21(10-13-25)15-24-20-8-7-18(23)14-19(20)21/h1-8,14,24H,9-13,15H2/b2-1+.
What are the key properties of 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]?
1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 356.87 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 58046534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).