5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide

C23H27F3N2O2 — CID 156815845

IUPAC5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide
SMILESCC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(NCCO)C1CCC1
InChIInChI=1S/C14H8F3N.C7H13NO2.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;9-5-4-8-7(10)6-2-1-3-6;1-2/h1-7,18H;6,9H,1-5H2,(H,8,10);1-2H3
InChIKeyCFTQISYWVVVAHB-UHFFFAOYSA-N
MW420.48 g/mol
LogP5.17
Rot. Bonds4

About 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide

5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide (PubChem CID 156815845) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide.

Molecular Properties

Compound Name5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide
PubChem CID156815845
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide
SMILESCC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(NCCO)C1CCC1
InChIInChI=1S/C14H8F3N.C7H13NO2.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;9-5-4-8-7(10)6-2-1-3-6;1-2/h1-7,18H;6,9H,1-5H2,(H,8,10);1-2H3
InChIKeyCFTQISYWVVVAHB-UHFFFAOYSA-N
XLogP5.17
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide
CID 156816200
5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane
CID 156816458
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
cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane
CID 156816192
cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione
CID 156816303
cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815891
cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
CID 162389670
cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815876
4-(cyclobutanecarbonyl)-1-propan-2-ylpiperazin-2-one;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815775
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
CID 166585688
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide?
The IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide (CID 156815845) is 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide.
What is the SMILES notation for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide?
The canonical SMILES for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide is CC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(NCCO)C1CCC1.
What is the InChIKey of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide?
The InChIKey is CFTQISYWVVVAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C7H13NO2.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;9-5-4-8-7(10)6-2-1-3-6;1-2/h1-7,18H;6,9H,1-5H2,(H,8,10);1-2H3.
What are the key properties of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide?
5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide has a molecular weight of 420.48 g/mol, XLogP of 5.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide is sourced from PubChem (CID 156815845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).