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

C24H25F3N2O2 — CID 156816200

IUPAC5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide
SMILESFc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(NC1(CCO)CC1)C1CCC1
InChIInChI=1S/C14H8F3N.C10H17NO2/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;12-7-6-10(4-5-10)11-9(13)8-2-1-3-8/h1-7,18H;8,12H,1-7H2,(H,11,13)
InChIKeyINKFFUMYPZOWIM-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.07
Rot. Bonds5

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

5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide (PubChem CID 156816200) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide.

Molecular Properties

Compound Name5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide
PubChem CID156816200
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide
SMILESFc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(NC1(CCO)CC1)C1CCC1
InChIInChI=1S/C14H8F3N.C10H17NO2/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;12-7-6-10(4-5-10)11-9(13)8-2-1-3-8/h1-7,18H;8,12H,1-7H2,(H,11,13)
InChIKeyINKFFUMYPZOWIM-UHFFFAOYSA-N
XLogP5.07
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 156815845
[4,4-bis(hydroxymethyl)piperidin-1-yl]-cyclobutylmethanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815866
1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
CID 162390013
cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione
CID 156816303
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
cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815891
cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane
CID 156816192
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
cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
CID 162389670
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea
CID 166585966

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide?
The IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide (CID 156816200) is 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide.
What is the SMILES notation for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide?
The canonical SMILES for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide is Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(NC1(CCO)CC1)C1CCC1.
What is the InChIKey of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide?
The InChIKey is INKFFUMYPZOWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C10H17NO2/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;12-7-6-10(4-5-10)11-9(13)8-2-1-3-8/h1-7,18H;8,12H,1-7H2,(H,11,13).
What are the key properties of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide?
5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide has a molecular weight of 430.47 g/mol, XLogP of 5.07, 5 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;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide is sourced from PubChem (CID 156816200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).