benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate

C18H16FNO3 — CID 69499606

IUPACbenzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate
SMILESO=C1CC(c2ccc(NC(=O)OCc3ccccc3)cc2F)C1
InChIInChI=1S/C18H16FNO3/c19-17-10-14(6-7-16(17)13-8-15(21)9-13)20-18(22)23-11-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,20,22)
InChIKeyPQODMBRAYUVENL-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.02
Rot. Bonds4

About benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate

benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate (PubChem CID 69499606) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate
PubChem CID69499606
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Namebenzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate
SMILESO=C1CC(c2ccc(NC(=O)OCc3ccccc3)cc2F)C1
InChIInChI=1S/C18H16FNO3/c19-17-10-14(6-7-16(17)13-8-15(21)9-13)20-18(22)23-11-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,20,22)
InChIKeyPQODMBRAYUVENL-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate (CID 69499606) is benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate is O=C1CC(c2ccc(NC(=O)OCc3ccccc3)cc2F)C1.
What is the InChIKey of benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate?
The InChIKey is PQODMBRAYUVENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-17-10-14(6-7-16(17)13-8-15(21)9-13)20-18(22)23-11-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,20,22).
What are the key properties of benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate?
benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate has a molecular weight of 313.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-fluoro-4-(3-oxocyclobutyl)phenyl]carbamate is sourced from PubChem (CID 69499606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).