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

C23H21F3N2O4 — CID 156816061

IUPAC[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate
SMILESO=C(N[C@H]1COC[C@@H]1O)OC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H21F3N2O4/c24-13-3-1-11(2-4-13)21-20(16-7-14(25)8-17(26)22(16)28-21)12-5-15(6-12)32-23(30)27-18-9-31-10-19(18)29/h1-4,7-8,12,15,18-19,28-29H,5-6,9-10H2,(H,27,30)/t12?,15?,18-,19-/m0/s1
InChIKeyISCBIIUAHGECDN-JGUAIJRYSA-N
MW446.43 g/mol
LogP3.98
Rot. Bonds4

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

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate (PubChem CID 156816061) has the molecular formula C23H21F3N2O4 and a molecular weight of 446.43 g/mol. Its IUPAC name is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate.

Molecular Properties

Compound Name[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate
PubChem CID156816061
Molecular FormulaC23H21F3N2O4
Molecular Weight446.43 g/mol
Exact Mass446.15
IUPAC Name[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate
SMILESO=C(N[C@H]1COC[C@@H]1O)OC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H21F3N2O4/c24-13-3-1-11(2-4-13)21-20(16-7-14(25)8-17(26)22(16)28-21)12-5-15(6-12)32-23(30)27-18-9-31-10-19(18)29/h1-4,7-8,12,15,18-19,28-29H,5-6,9-10H2,(H,27,30)/t12?,15?,18-,19-/m0/s1
InChIKeyISCBIIUAHGECDN-JGUAIJRYSA-N
XLogP3.98
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-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-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate?
The IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate (CID 156816061) is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate.
What is the SMILES notation for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate?
The canonical SMILES for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate is O=C(N[C@H]1COC[C@@H]1O)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-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate?
The InChIKey is ISCBIIUAHGECDN-JGUAIJRYSA-N. The full InChI is InChI=1S/C23H21F3N2O4/c24-13-3-1-11(2-4-13)21-20(16-7-14(25)8-17(26)22(16)28-21)12-5-15(6-12)32-23(30)27-18-9-31-10-19(18)29/h1-4,7-8,12,15,18-19,28-29H,5-6,9-10H2,(H,27,30)/t12?,15?,18-,19-/m0/s1.
What are the key properties of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate?
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate has a molecular weight of 446.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 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-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate is sourced from PubChem (CID 156816061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).