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

C23H23F3N2O3 — CID 166008553

IUPAC[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate
SMILESCOCC(C)NC(=O)OC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H23F3N2O3/c1-12(11-30-2)27-23(29)31-17-7-14(8-17)20-18-9-16(25)10-19(26)22(18)28-21(20)13-3-5-15(24)6-4-13/h3-6,9-10,12,14,17,28H,7-8,11H2,1-2H3,(H,27,29)
InChIKeyZOMGBFDQYVJIIB-UHFFFAOYSA-N
MW432.44 g/mol
LogP5.26
Rot. Bonds6

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

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate (PubChem CID 166008553) 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-methoxypropan-2-yl)carbamate.

Molecular Properties

Compound Name[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate
PubChem CID166008553
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-methoxypropan-2-yl)carbamate
SMILESCOCC(C)NC(=O)OC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H23F3N2O3/c1-12(11-30-2)27-23(29)31-17-7-14(8-17)20-18-9-16(25)10-19(26)22(18)28-21(20)13-3-5-15(24)6-4-13/h3-6,9-10,12,14,17,28H,7-8,11H2,1-2H3,(H,27,29)
InChIKeyZOMGBFDQYVJIIB-UHFFFAOYSA-N
XLogP5.26
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.44
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate 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 [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate?
The IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate (CID 166008553) is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate.
What is the SMILES notation for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate?
The canonical SMILES for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate is COCC(C)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-methoxypropan-2-yl)carbamate?
The InChIKey is ZOMGBFDQYVJIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-12(11-30-2)27-23(29)31-17-7-14(8-17)20-18-9-16(25)10-19(26)22(18)28-21(20)13-3-5-15(24)6-4-13/h3-6,9-10,12,14,17,28H,7-8,11H2,1-2H3,(H,27,29).
What are the key properties of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate?
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-(1-methoxypropan-2-yl)carbamate has a molecular weight of 432.44 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 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-methoxypropan-2-yl)carbamate is sourced from PubChem (CID 166008553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).