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

C23H23F3N2 — CID 162389562

IUPACN-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CC(CNC3CCC3)C2)cc1
InChIInChI=1S/C23H23F3N2/c24-16-6-4-14(5-7-16)22-21(19-10-17(25)11-20(26)23(19)28-22)15-8-13(9-15)12-27-18-2-1-3-18/h4-7,10-11,13,15,18,27-28H,1-3,8-9,12H2
InChIKeyKKEPLDFDIWQAAZ-UHFFFAOYSA-N
MW384.45 g/mol
LogP5.89
Rot. Bonds5

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

N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine (PubChem CID 162389562) has the molecular formula C23H23F3N2 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine
PubChem CID162389562
Molecular FormulaC23H23F3N2
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CC(CNC3CCC3)C2)cc1
InChIInChI=1S/C23H23F3N2/c24-16-6-4-14(5-7-16)22-21(19-10-17(25)11-20(26)23(19)28-22)15-8-13(9-15)12-27-18-2-1-3-18/h4-7,10-11,13,15,18,27-28H,1-3,8-9,12H2
InChIKeyKKEPLDFDIWQAAZ-UHFFFAOYSA-N
XLogP5.89
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine
CID 166579488
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 162389556
3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione
CID 166579518
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
CID 166008677
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
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea
CID 156816375
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxy-3-methylbutanamide
CID 162390081

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine?
The IUPAC name of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine (CID 162389562) is N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine?
The canonical SMILES for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine is Fc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CC(CNC3CCC3)C2)cc1.
What is the InChIKey of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine?
The InChIKey is KKEPLDFDIWQAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2/c24-16-6-4-14(5-7-16)22-21(19-10-17(25)11-20(26)23(19)28-22)15-8-13(9-15)12-27-18-2-1-3-18/h4-7,10-11,13,15,18,27-28H,1-3,8-9,12H2.
What are the key properties of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine?
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine has a molecular weight of 384.45 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine is sourced from PubChem (CID 162389562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).