N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide

C23H30ClFN2O2 — CID 71077880

IUPACN-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide
SMILESO=C(CCC1CCCCCC1)Nc1cn(CCC2(F)COC2)c2cccc(Cl)c12
InChIInChI=1S/C23H30ClFN2O2/c24-18-8-5-9-20-22(18)19(14-27(20)13-12-23(25)15-29-16-23)26-21(28)11-10-17-6-3-1-2-4-7-17/h5,8-9,14,17H,1-4,6-7,10-13,15-16H2,(H,26,28)
InChIKeyWKIRSNPAZXHFPB-UHFFFAOYSA-N
MW420.96 g/mol
LogP6.11
Rot. Bonds7

About N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide

N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide (PubChem CID 71077880) has the molecular formula C23H30ClFN2O2 and a molecular weight of 420.96 g/mol. Its IUPAC name is N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide
PubChem CID71077880
Molecular FormulaC23H30ClFN2O2
Molecular Weight420.96 g/mol
Exact Mass420.20
IUPAC NameN-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide
SMILESO=C(CCC1CCCCCC1)Nc1cn(CCC2(F)COC2)c2cccc(Cl)c12
InChIInChI=1S/C23H30ClFN2O2/c24-18-8-5-9-20-22(18)19(14-27(20)13-12-23(25)15-29-16-23)26-21(28)11-10-17-6-3-1-2-4-7-17/h5,8-9,14,17H,1-4,6-7,10-13,15-16H2,(H,26,28)
InChIKeyWKIRSNPAZXHFPB-UHFFFAOYSA-N
XLogP6.11
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.96
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide 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 N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide?
The IUPAC name of N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide (CID 71077880) is N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide.
What is the SMILES notation for N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide?
The canonical SMILES for N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide is O=C(CCC1CCCCCC1)Nc1cn(CCC2(F)COC2)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide?
The InChIKey is WKIRSNPAZXHFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClFN2O2/c24-18-8-5-9-20-22(18)19(14-27(20)13-12-23(25)15-29-16-23)26-21(28)11-10-17-6-3-1-2-4-7-17/h5,8-9,14,17H,1-4,6-7,10-13,15-16H2,(H,26,28).
What are the key properties of N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide?
N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide has a molecular weight of 420.96 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[2-(3-fluorooxetan-3-yl)ethyl]indol-3-yl]-3-cycloheptylpropanamide is sourced from PubChem (CID 71077880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).