cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole

C24H21F3N2O3 — CID 156815876

IUPACcyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(NCc1ccco1)OC1CCC1
InChIInChI=1S/C14H8F3N.C10H13NO3/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;12-10(14-8-3-1-4-8)11-7-9-5-2-6-13-9/h1-7,18H;2,5-6,8H,1,3-4,7H2,(H,11,12)
InChIKeyDHHKQEXRKQQNIE-UHFFFAOYSA-N
MW442.44 g/mol
LogP6.31
Rot. Bonds4

About cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole

cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole (PubChem CID 156815876) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole.

Molecular Properties

Compound Namecyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
PubChem CID156815876
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Namecyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(NCc1ccco1)OC1CCC1
InChIInChI=1S/C14H8F3N.C10H13NO3/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;12-10(14-8-3-1-4-8)11-7-9-5-2-6-13-9/h1-7,18H;2,5-6,8H,1,3-4,7H2,(H,11,12)
InChIKeyDHHKQEXRKQQNIE-UHFFFAOYSA-N
XLogP6.31
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The IUPAC name of cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole (CID 156815876) is cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole.
What is the SMILES notation for cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The canonical SMILES for cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole is Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(NCc1ccco1)OC1CCC1.
What is the InChIKey of cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The InChIKey is DHHKQEXRKQQNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C10H13NO3/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;12-10(14-8-3-1-4-8)11-7-9-5-2-6-13-9/h1-7,18H;2,5-6,8H,1,3-4,7H2,(H,11,12).
What are the key properties of cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole has a molecular weight of 442.44 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole is sourced from PubChem (CID 156815876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).