5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole

C18H19FN2 — CID 146279489

IUPAC5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole
SMILESFc1ccc(-c2ccc3c(c2)CNC3)c(N2CCCC2)c1
InChIInChI=1S/C18H19FN2/c19-16-5-6-17(18(10-16)21-7-1-2-8-21)13-3-4-14-11-20-12-15(14)9-13/h3-6,9-10,20H,1-2,7-8,11-12H2
InChIKeyIQIKXGWBIZPMMT-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.70
Rot. Bonds2

About 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole

5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 146279489) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole
PubChem CID146279489
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole
SMILESFc1ccc(-c2ccc3c(c2)CNC3)c(N2CCCC2)c1
InChIInChI=1S/C18H19FN2/c19-16-5-6-17(18(10-16)21-7-1-2-8-21)13-3-4-14-11-20-12-15(14)9-13/h3-6,9-10,20H,1-2,7-8,11-12H2
InChIKeyIQIKXGWBIZPMMT-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-1,3-dihydroisoindole-2-carboxylate
CID 146279544
1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
1-(2,5-difluorophenyl)piperidine
CID 22638080
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806663
[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine
CID 117113346
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride
CID 68824080
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole (CID 146279489) is 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole is Fc1ccc(-c2ccc3c(c2)CNC3)c(N2CCCC2)c1.
What is the InChIKey of 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is IQIKXGWBIZPMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c19-16-5-6-17(18(10-16)21-7-1-2-8-21)13-3-4-14-11-20-12-15(14)9-13/h3-6,9-10,20H,1-2,7-8,11-12H2.
What are the key properties of 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole?
5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole has a molecular weight of 282.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 146279489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).