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

C23H19F3N4O2 — CID 156816199

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1nnc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)o1
InChIInChI=1S/C23H19F3N4O2/c1-11-29-30-19(32-11)10-27-23(31)14-6-13(7-14)20-17-8-16(25)9-18(26)22(17)28-21(20)12-2-4-15(24)5-3-12/h2-5,8-9,13-14,28H,6-7,10H2,1H3,(H,27,31)
InChIKeyJQUHUKQJEQNRAG-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.75
Rot. Bonds5

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

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 156816199) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID156816199
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1nnc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)o1
InChIInChI=1S/C23H19F3N4O2/c1-11-29-30-19(32-11)10-27-23(31)14-6-13(7-14)20-17-8-16(25)9-18(26)22(17)28-21(20)12-2-4-15(24)5-3-12/h2-5,8-9,13-14,28H,6-7,10H2,1H3,(H,27,31)
InChIKeyJQUHUKQJEQNRAG-UHFFFAOYSA-N
XLogP4.75
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide (CID 156816199) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide is Cc1nnc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)o1.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is JQUHUKQJEQNRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-11-29-30-19(32-11)10-27-23(31)14-6-13(7-14)20-17-8-16(25)9-18(26)22(17)28-21(20)12-2-4-15(24)5-3-12/h2-5,8-9,13-14,28H,6-7,10H2,1H3,(H,27,31).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 156816199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).