cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane

C24H28F3N3O3 — CID 162389670

IUPACcyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
SMILESCC.CC(NC(=O)OC1CCC1)C(N)=O.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1
InChIInChI=1S/C14H8F3N.C8H14N2O3.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;1-5(7(9)11)10-8(12)13-6-3-2-4-6;1-2/h1-7,18H;5-6H,2-4H2,1H3,(H2,9,11)(H,10,12);1-2H3
InChIKeyUEVUJQRVPOEDQT-UHFFFAOYSA-N
MW463.50 g/mol
LogP5.42
Rot. Bonds4

About cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane

cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane (PubChem CID 162389670) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane.

Molecular Properties

Compound Namecyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
PubChem CID162389670
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Namecyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
SMILESCC.CC(NC(=O)OC1CCC1)C(N)=O.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1
InChIInChI=1S/C14H8F3N.C8H14N2O3.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;1-5(7(9)11)10-8(12)13-6-3-2-4-6;1-2/h1-7,18H;5-6H,2-4H2,1H3,(H2,9,11)(H,10,12);1-2H3
InChIKeyUEVUJQRVPOEDQT-UHFFFAOYSA-N
XLogP5.42
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
The IUPAC name of cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane (CID 162389670) is cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane.
What is the SMILES notation for cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
The canonical SMILES for cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane is CC.CC(NC(=O)OC1CCC1)C(N)=O.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.
What is the InChIKey of cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
The InChIKey is UEVUJQRVPOEDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C8H14N2O3.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;1-5(7(9)11)10-8(12)13-6-3-2-4-6;1-2/h1-7,18H;5-6H,2-4H2,1H3,(H2,9,11)(H,10,12);1-2H3.
What are the key properties of cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane has a molecular weight of 463.50 g/mol, XLogP of 5.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane is sourced from PubChem (CID 162389670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).