1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane

C26H30F3N3O2 — CID 162390013

IUPAC1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
SMILESCC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.NC(=O)C1(C(=O)NCC2CCC2)CC1
InChIInChI=1S/C14H8F3N.C10H16N2O2.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;11-8(13)10(4-5-10)9(14)12-6-7-2-1-3-7;1-2/h1-7,18H;7H,1-6H2,(H2,11,13)(H,12,14);1-2H3
InChIKeyDWININIZJJKWBY-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.45
Rot. Bonds5

About 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane

1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane (PubChem CID 162390013) has the molecular formula C26H30F3N3O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane.

Molecular Properties

Compound Name1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
PubChem CID162390013
Molecular FormulaC26H30F3N3O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC Name1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
SMILESCC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.NC(=O)C1(C(=O)NCC2CCC2)CC1
InChIInChI=1S/C14H8F3N.C10H16N2O2.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;11-8(13)10(4-5-10)9(14)12-6-7-2-1-3-7;1-2/h1-7,18H;7H,1-6H2,(H2,11,13)(H,12,14);1-2H3
InChIKeyDWININIZJJKWBY-UHFFFAOYSA-N
XLogP5.45
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
The IUPAC name of 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane (CID 162390013) is 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane.
What is the SMILES notation for 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
The canonical SMILES for 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane is CC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.NC(=O)C1(C(=O)NCC2CCC2)CC1.
What is the InChIKey of 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
The InChIKey is DWININIZJJKWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C10H16N2O2.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;11-8(13)10(4-5-10)9(14)12-6-7-2-1-3-7;1-2/h1-7,18H;7H,1-6H2,(H2,11,13)(H,12,14);1-2H3.
What are the key properties of 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane has a molecular weight of 473.54 g/mol, XLogP of 5.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane is sourced from PubChem (CID 162390013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).