[6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate

C19H22FN3O2 — CID 67708133

IUPAC[6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc2c(cc1F)N(CCCCc1ccccn1)CC2
InChIInChI=1S/C19H22FN3O2/c1-21-19(24)25-18-12-14-8-11-23(17(14)13-16(18)20)10-5-3-7-15-6-2-4-9-22-15/h2,4,6,9,12-13H,3,5,7-8,10-11H2,1H3,(H,21,24)
InChIKeyCKDMHRHOFKJVIC-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.32
Rot. Bonds6

About [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate

[6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate (PubChem CID 67708133) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate.

Molecular Properties

Compound Name[6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate
PubChem CID67708133
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc2c(cc1F)N(CCCCc1ccccn1)CC2
InChIInChI=1S/C19H22FN3O2/c1-21-19(24)25-18-12-14-8-11-23(17(14)13-16(18)20)10-5-3-7-15-6-2-4-9-22-15/h2,4,6,9,12-13H,3,5,7-8,10-11H2,1H3,(H,21,24)
InChIKeyCKDMHRHOFKJVIC-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate?
The IUPAC name of [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate (CID 67708133) is [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate.
What is the SMILES notation for [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate?
The canonical SMILES for [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate is CNC(=O)Oc1cc2c(cc1F)N(CCCCc1ccccn1)CC2.
What is the InChIKey of [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate?
The InChIKey is CKDMHRHOFKJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-21-19(24)25-18-12-14-8-11-23(17(14)13-16(18)20)10-5-3-7-15-6-2-4-9-22-15/h2,4,6,9,12-13H,3,5,7-8,10-11H2,1H3,(H,21,24).
What are the key properties of [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate?
[6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate has a molecular weight of 343.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-(4-pyridin-2-ylbutyl)-2,3-dihydroindol-5-yl] N-methylcarbamate is sourced from PubChem (CID 67708133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).