benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate

C19H16FNO4 — CID 134961726

IUPACbenzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate
SMILESO=C1C=CC([C@@H](NC(=O)OCc2ccccc2)c2ccc(F)cc2)O1
InChIInChI=1S/C19H16FNO4/c20-15-8-6-14(7-9-15)18(16-10-11-17(22)25-16)21-19(23)24-12-13-4-2-1-3-5-13/h1-11,16,18H,12H2,(H,21,23)/t16?,18-/m0/s1
InChIKeyODFIBZHTPBEAEB-DAFXYXGESA-N
MW341.34 g/mol
LogP3.27
Rot. Bonds5

About benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate

benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate (PubChem CID 134961726) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate
PubChem CID134961726
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Namebenzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate
SMILESO=C1C=CC([C@@H](NC(=O)OCc2ccccc2)c2ccc(F)cc2)O1
InChIInChI=1S/C19H16FNO4/c20-15-8-6-14(7-9-15)18(16-10-11-17(22)25-16)21-19(23)24-12-13-4-2-1-3-5-13/h1-11,16,18H,12H2,(H,21,23)/t16?,18-/m0/s1
InChIKeyODFIBZHTPBEAEB-DAFXYXGESA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate (CID 134961726) is benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate is O=C1C=CC([C@@H](NC(=O)OCc2ccccc2)c2ccc(F)cc2)O1.
What is the InChIKey of benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate?
The InChIKey is ODFIBZHTPBEAEB-DAFXYXGESA-N. The full InChI is InChI=1S/C19H16FNO4/c20-15-8-6-14(7-9-15)18(16-10-11-17(22)25-16)21-19(23)24-12-13-4-2-1-3-5-13/h1-11,16,18H,12H2,(H,21,23)/t16?,18-/m0/s1.
What are the key properties of benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate?
benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate has a molecular weight of 341.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate is sourced from PubChem (CID 134961726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).