(3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine

C23H23F3N2O — CID 166579488

IUPAC(3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CC(CN[C@@H]3CCOC3)C2)cc1
InChIInChI=1S/C23H23F3N2O/c24-16-3-1-14(2-4-16)22-21(19-9-17(25)10-20(26)23(19)28-22)15-7-13(8-15)11-27-18-5-6-29-12-18/h1-4,9-10,13,15,18,27-28H,5-8,11-12H2/t13?,15?,18-/m1/s1
InChIKeyHXFHIBNYOIHUIO-LEHRNKBSSA-N
MW400.44 g/mol
LogP5.12
Rot. Bonds5

About (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine

(3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine (PubChem CID 166579488) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine
PubChem CID166579488
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name(3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CC(CN[C@@H]3CCOC3)C2)cc1
InChIInChI=1S/C23H23F3N2O/c24-16-3-1-14(2-4-16)22-21(19-9-17(25)10-20(26)23(19)28-22)15-7-13(8-15)11-27-18-5-6-29-12-18/h1-4,9-10,13,15,18,27-28H,5-8,11-12H2/t13?,15?,18-/m1/s1
InChIKeyHXFHIBNYOIHUIO-LEHRNKBSSA-N
XLogP5.12
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine with MolForge

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Related Compounds

N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine
CID 162389562
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide
CID 166008605
3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione
CID 166579518
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide
CID 162389885
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 162389556
N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide
CID 162390075
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 156816001
(2S)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxypropanamide
CID 162389653
(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
CID 166579586
1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine
CID 162389852
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
CID 156815991
[3-[2-(4-chlorophenyl)-5,7-difluoro-1H-indol-3-yl]cyclobutyl]methanamine
CID 162389639

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine?
The IUPAC name of (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine (CID 166579488) is (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine?
The canonical SMILES for (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine is Fc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CC(CN[C@@H]3CCOC3)C2)cc1.
What is the InChIKey of (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine?
The InChIKey is HXFHIBNYOIHUIO-LEHRNKBSSA-N. The full InChI is InChI=1S/C23H23F3N2O/c24-16-3-1-14(2-4-16)22-21(19-9-17(25)10-20(26)23(19)28-22)15-7-13(8-15)11-27-18-5-6-29-12-18/h1-4,9-10,13,15,18,27-28H,5-8,11-12H2/t13?,15?,18-/m1/s1.
What are the key properties of (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine?
(3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine has a molecular weight of 400.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine is sourced from PubChem (CID 166579488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).