[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate

C23H23F3N2O3 — CID 166008630

IUPAC[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
SMILESCC(C)(CO)NC(=O)OC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H23F3N2O3/c1-23(2,11-29)28-22(30)31-16-7-13(8-16)19-17-9-15(25)10-18(26)21(17)27-20(19)12-3-5-14(24)6-4-12/h3-6,9-10,13,16,27,29H,7-8,11H2,1-2H3,(H,28,30)
InChIKeyZVXSANJMTVJTHE-UHFFFAOYSA-N
MW432.44 g/mol
LogP5.00
Rot. Bonds5

About [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate (PubChem CID 166008630) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Name[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
PubChem CID166008630
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
SMILESCC(C)(CO)NC(=O)OC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H23F3N2O3/c1-23(2,11-29)28-22(30)31-16-7-13(8-16)19-17-9-15(25)10-18(26)21(17)27-20(19)12-3-5-14(24)6-4-12/h3-6,9-10,13,16,27,29H,7-8,11H2,1-2H3,(H,28,30)
InChIKeyZVXSANJMTVJTHE-UHFFFAOYSA-N
XLogP5.00
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate?
The IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate (CID 166008630) is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate?
The canonical SMILES for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate is CC(C)(CO)NC(=O)OC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate?
The InChIKey is ZVXSANJMTVJTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-23(2,11-29)28-22(30)31-16-7-13(8-16)19-17-9-15(25)10-18(26)21(17)27-20(19)12-3-5-14(24)6-4-12/h3-6,9-10,13,16,27,29H,7-8,11H2,1-2H3,(H,28,30).
What are the key properties of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate?
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate has a molecular weight of 432.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 166008630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).