phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate

C21H19FN2O3 — CID 178070317

IUPACphenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate
SMILESO=C(Nc1cc2c(cc1F)N(C1CCC1)C(=O)C21CC1)Oc1ccccc1
InChIInChI=1S/C21H19FN2O3/c22-16-12-18-15(21(9-10-21)19(25)24(18)13-5-4-6-13)11-17(16)23-20(26)27-14-7-2-1-3-8-14/h1-3,7-8,11-13H,4-6,9-10H2,(H,23,26)
InChIKeyVJKDAMPANYCHTK-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.37
Rot. Bonds3

About phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate

phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate (PubChem CID 178070317) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate
PubChem CID178070317
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Namephenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate
SMILESO=C(Nc1cc2c(cc1F)N(C1CCC1)C(=O)C21CC1)Oc1ccccc1
InChIInChI=1S/C21H19FN2O3/c22-16-12-18-15(21(9-10-21)19(25)24(18)13-5-4-6-13)11-17(16)23-20(26)27-14-7-2-1-3-8-14/h1-3,7-8,11-13H,4-6,9-10H2,(H,23,26)
InChIKeyVJKDAMPANYCHTK-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate?
The IUPAC name of phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate (CID 178070317) is phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate.
What is the SMILES notation for phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate?
The canonical SMILES for phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate is O=C(Nc1cc2c(cc1F)N(C1CCC1)C(=O)C21CC1)Oc1ccccc1.
What is the InChIKey of phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate?
The InChIKey is VJKDAMPANYCHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-16-12-18-15(21(9-10-21)19(25)24(18)13-5-4-6-13)11-17(16)23-20(26)27-14-7-2-1-3-8-14/h1-3,7-8,11-13H,4-6,9-10H2,(H,23,26).
What are the key properties of phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate?
phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate has a molecular weight of 366.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate is sourced from PubChem (CID 178070317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).