[2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate

C22H19FN2O4 — CID 2805750

IUPAC[2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cccc(COC(=O)Nc2ccccc2)c1F
InChIInChI=1S/C22H19FN2O4/c23-20-16(14-28-21(26)24-18-10-3-1-4-11-18)8-7-9-17(20)15-29-22(27)25-19-12-5-2-6-13-19/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyWMNFYFDWDWQKFK-UHFFFAOYSA-N
MW394.40 g/mol
LogP5.32
Rot. Bonds6

About [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate

[2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate (PubChem CID 2805750) has the molecular formula C22H19FN2O4 and a molecular weight of 394.40 g/mol. Its IUPAC name is [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate
PubChem CID2805750
Molecular FormulaC22H19FN2O4
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name[2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cccc(COC(=O)Nc2ccccc2)c1F
InChIInChI=1S/C22H19FN2O4/c23-20-16(14-28-21(26)24-18-10-3-1-4-11-18)8-7-9-17(20)15-29-22(27)25-19-12-5-2-6-13-19/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyWMNFYFDWDWQKFK-UHFFFAOYSA-N
XLogP5.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate?
The IUPAC name of [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate (CID 2805750) is [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate.
What is the SMILES notation for [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate?
The canonical SMILES for [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1cccc(COC(=O)Nc2ccccc2)c1F.
What is the InChIKey of [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate?
The InChIKey is WMNFYFDWDWQKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4/c23-20-16(14-28-21(26)24-18-10-3-1-4-11-18)8-7-9-17(20)15-29-22(27)25-19-12-5-2-6-13-19/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate?
[2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate has a molecular weight of 394.40 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(phenylcarbamoyloxymethyl)phenyl]methyl N-phenylcarbamate is sourced from PubChem (CID 2805750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).