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

C19H20FNO3 — CID 69499593

IUPACbenzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate
SMILESCOC1CC(c2ccc(NC(=O)OCc3ccccc3)cc2F)C1
InChIInChI=1S/C19H20FNO3/c1-23-16-9-14(10-16)17-8-7-15(11-18(17)20)21-19(22)24-12-13-5-3-2-4-6-13/h2-8,11,14,16H,9-10,12H2,1H3,(H,21,22)
InChIKeyBOYBNJSDDIQNTR-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.47
Rot. Bonds5

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

benzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate (PubChem CID 69499593) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is benzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate
PubChem CID69499593
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namebenzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate
SMILESCOC1CC(c2ccc(NC(=O)OCc3ccccc3)cc2F)C1
InChIInChI=1S/C19H20FNO3/c1-23-16-9-14(10-16)17-8-7-15(11-18(17)20)21-19(22)24-12-13-5-3-2-4-6-13/h2-8,11,14,16H,9-10,12H2,1H3,(H,21,22)
InChIKeyBOYBNJSDDIQNTR-UHFFFAOYSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.47
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-methoxycyclobutyl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate (CID 69499593) is benzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate is COC1CC(c2ccc(NC(=O)OCc3ccccc3)cc2F)C1.
What is the InChIKey of benzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate?
The InChIKey is BOYBNJSDDIQNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-23-16-9-14(10-16)17-8-7-15(11-18(17)20)21-19(22)24-12-13-5-3-2-4-6-13/h2-8,11,14,16H,9-10,12H2,1H3,(H,21,22).
What are the key properties of benzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate?
benzyl N-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]carbamate has a molecular weight of 329.37 g/mol, XLogP of 4.47, 5 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-methoxycyclobutyl)phenyl]carbamate is sourced from PubChem (CID 69499593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).