4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide

C23H30ClF2N3O3 — CID 139292254

IUPAC4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide
SMILESO=C(NCCCC(F)(F)CCCCO)c1cn(CCN2CCCC2=O)c2cccc(Cl)c12
InChIInChI=1S/C23H30ClF2N3O3/c24-18-6-3-7-19-21(18)17(16-29(19)14-13-28-12-4-8-20(28)31)22(32)27-11-5-10-23(25,26)9-1-2-15-30/h3,6-7,16,30H,1-2,4-5,8-15H2,(H,27,32)
InChIKeyBOUIAPXSXWNFCV-UHFFFAOYSA-N
MW469.96 g/mol
LogP4.22
Rot. Bonds12

About 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide

4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide (PubChem CID 139292254) has the molecular formula C23H30ClF2N3O3 and a molecular weight of 469.96 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide
PubChem CID139292254
Molecular FormulaC23H30ClF2N3O3
Molecular Weight469.96 g/mol
Exact Mass469.19
IUPAC Name4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide
SMILESO=C(NCCCC(F)(F)CCCCO)c1cn(CCN2CCCC2=O)c2cccc(Cl)c12
InChIInChI=1S/C23H30ClF2N3O3/c24-18-6-3-7-19-21(18)17(16-29(19)14-13-28-12-4-8-20(28)31)22(32)27-11-5-10-23(25,26)9-1-2-15-30/h3,6-7,16,30H,1-2,4-5,8-15H2,(H,27,32)
InChIKeyBOUIAPXSXWNFCV-UHFFFAOYSA-N
XLogP4.22
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.96
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide 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 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide?
The IUPAC name of 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide (CID 139292254) is 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide is O=C(NCCCC(F)(F)CCCCO)c1cn(CCN2CCCC2=O)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide?
The InChIKey is BOUIAPXSXWNFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClF2N3O3/c24-18-6-3-7-19-21(18)17(16-29(19)14-13-28-12-4-8-20(28)31)22(32)27-11-5-10-23(25,26)9-1-2-15-30/h3,6-7,16,30H,1-2,4-5,8-15H2,(H,27,32).
What are the key properties of 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide?
4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide has a molecular weight of 469.96 g/mol, XLogP of 4.22, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,4-difluoro-8-hydroxyoctyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 139292254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).