3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide

C23H20F3N3O2 — CID 166008659

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESO=C(N[C@H]1CCNC1=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H20F3N3O2/c24-14-3-1-11(2-4-14)20-19(16-9-15(25)10-17(26)21(16)29-20)12-7-13(8-12)22(30)28-18-5-6-27-23(18)31/h1-4,9-10,12-13,18,29H,5-8H2,(H,27,31)(H,28,30)/t12?,13?,18-/m0/s1
InChIKeyONKQWEKXLJXNFX-KJBLDROHSA-N
MW427.43 g/mol
LogP3.75
Rot. Bonds4

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 166008659) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide
PubChem CID166008659
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESO=C(N[C@H]1CCNC1=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H20F3N3O2/c24-14-3-1-11(2-4-14)20-19(16-9-15(25)10-17(26)21(16)29-20)12-7-13(8-12)22(30)28-18-5-6-27-23(18)31/h1-4,9-10,12-13,18,29H,5-8H2,(H,27,31)(H,28,30)/t12?,13?,18-/m0/s1
InChIKeyONKQWEKXLJXNFX-KJBLDROHSA-N
XLogP3.75
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-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 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 166008659) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide is O=C(N[C@H]1CCNC1=O)C1CC(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]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is ONKQWEKXLJXNFX-KJBLDROHSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-14-3-1-11(2-4-14)20-19(16-9-15(25)10-17(26)21(16)29-20)12-7-13(8-12)22(30)28-18-5-6-27-23(18)31/h1-4,9-10,12-13,18,29H,5-8H2,(H,27,31)(H,28,30)/t12?,13?,18-/m0/s1.
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166008659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).