cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione

C23H22F3N3O3 — CID 156816303

IUPACcyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione
SMILESFc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.NC(=O)C1CCC1.O=C1CCC(=O)N1
InChIInChI=1S/C14H8F3N.C5H9NO.C4H5NO2/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;6-5(7)4-2-1-3-4;6-3-1-2-4(7)5-3/h1-7,18H;4H,1-3H2,(H2,6,7);1-2H2,(H,5,6,7)
InChIKeyBMONKCSLPGJGMT-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.95
Rot. Bonds2

About cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione

cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione (PubChem CID 156816303) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione.

Molecular Properties

Compound Namecyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione
PubChem CID156816303
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Namecyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione
SMILESFc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.NC(=O)C1CCC1.O=C1CCC(=O)N1
InChIInChI=1S/C14H8F3N.C5H9NO.C4H5NO2/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;6-5(7)4-2-1-3-4;6-3-1-2-4(7)5-3/h1-7,18H;4H,1-3H2,(H2,6,7);1-2H2,(H,5,6,7)
InChIKeyBMONKCSLPGJGMT-UHFFFAOYSA-N
XLogP3.95
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane
CID 156816458
5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 156815845
5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide
CID 156816200
cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane
CID 156816192
[4,4-bis(hydroxymethyl)piperidin-1-yl]-cyclobutylmethanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815866
cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
CID 156816483
1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
CID 162390013
4-(cyclobutanecarbonyl)-1-propan-2-ylpiperazin-2-one;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815775
cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
CID 162389670
cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815891
N-(cyclobutylmethyl)ethanesulfinamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 162389792
cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815876

Frequently Asked Questions

What is the IUPAC name of cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione?
The IUPAC name of cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione (CID 156816303) is cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione.
What is the SMILES notation for cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione?
The canonical SMILES for cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione is Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.NC(=O)C1CCC1.O=C1CCC(=O)N1.
What is the InChIKey of cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione?
The InChIKey is BMONKCSLPGJGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C5H9NO.C4H5NO2/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;6-5(7)4-2-1-3-4;6-3-1-2-4(7)5-3/h1-7,18H;4H,1-3H2,(H2,6,7);1-2H2,(H,5,6,7).
What are the key properties of cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione?
cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione has a molecular weight of 445.44 g/mol, XLogP of 3.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione is sourced from PubChem (CID 156816303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).