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

C22H19F3N2O2 — CID 166687209

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide
SMILESCC(=O)CNC(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C22H19F3N2O2/c1-11(28)10-26-22(29)14-6-13(7-14)19-17-8-16(24)9-18(25)21(17)27-20(19)12-2-4-15(23)5-3-12/h2-5,8-9,13-14,27H,6-7,10H2,1H3,(H,26,29)
InChIKeyTUANKXFTMSOUQJ-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.45
Rot. Bonds5

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

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide (PubChem CID 166687209) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide
PubChem CID166687209
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide
SMILESCC(=O)CNC(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C22H19F3N2O2/c1-11(28)10-26-22(29)14-6-13(7-14)19-17-8-16(24)9-18(25)21(17)27-20(19)12-2-4-15(23)5-3-12/h2-5,8-9,13-14,27H,6-7,10H2,1H3,(H,26,29)
InChIKeyTUANKXFTMSOUQJ-UHFFFAOYSA-N
XLogP4.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 156815788
N-(2,2-difluoroethyl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 156816341
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxylic acid
CID 156815718
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 166630424
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
CID 156815991
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]carbamoylamino]acetamide
CID 162389497
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 166008681
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide
CID 162389938
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]cyclobutane-1-carboxamide
CID 156816367
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(oxolan-3-yl)cyclobutane-1-carboxamide
CID 166008605
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxooxolan-3-yl]cyclobutane-1-carboxamide
CID 166008574
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 166008573

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide (CID 166687209) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide is CC(=O)CNC(=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-(2-oxopropyl)cyclobutane-1-carboxamide?
The InChIKey is TUANKXFTMSOUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c1-11(28)10-26-22(29)14-6-13(7-14)19-17-8-16(24)9-18(25)21(17)27-20(19)12-2-4-15(23)5-3-12/h2-5,8-9,13-14,27H,6-7,10H2,1H3,(H,26,29).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide has a molecular weight of 400.40 g/mol, XLogP of 4.45, 5 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-(2-oxopropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166687209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).