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

C23H21F3N2O2 — CID 166008605

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCOC1)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H21F3N2O2/c24-15-3-1-12(2-4-15)21-20(18-9-16(25)10-19(26)22(18)28-21)13-7-14(8-13)23(29)27-17-5-6-30-11-17/h1-4,9-10,13-14,17,28H,5-8,11H2,(H,27,29)
InChIKeyHDNFBOWPLBXOMY-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.65
Rot. Bonds4

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

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide (PubChem CID 166008605) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide
PubChem CID166008605
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCOC1)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H21F3N2O2/c24-15-3-1-12(2-4-15)21-20(18-9-16(25)10-19(26)22(18)28-21)13-7-14(8-13)23(29)27-17-5-6-30-11-17/h1-4,9-10,13-14,17,28H,5-8,11H2,(H,27,29)
InChIKeyHDNFBOWPLBXOMY-UHFFFAOYSA-N
XLogP4.65
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide (CID 166008605) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide is O=C(NC1CCOC1)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-(oxolan-3-yl)cyclobutane-1-carboxamide?
The InChIKey is HDNFBOWPLBXOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-15-3-1-12(2-4-15)21-20(18-9-16(25)10-19(26)22(18)28-21)13-7-14(8-13)23(29)27-17-5-6-30-11-17/h1-4,9-10,13-14,17,28H,5-8,11H2,(H,27,29).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 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-(oxolan-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166008605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).