[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate

C19H19FN2O3 — CID 118438273

IUPAC[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate
SMILESCNC(=O)c1cccc(-c2cc(OC(=O)NC3CCC3)ccc2F)c1
InChIInChI=1S/C19H19FN2O3/c1-21-18(23)13-5-2-4-12(10-13)16-11-15(8-9-17(16)20)25-19(24)22-14-6-3-7-14/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyZGDJIODSHQUVFN-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.49
Rot. Bonds4

About [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate

[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate (PubChem CID 118438273) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate.

Molecular Properties

Compound Name[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate
PubChem CID118438273
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate
SMILESCNC(=O)c1cccc(-c2cc(OC(=O)NC3CCC3)ccc2F)c1
InChIInChI=1S/C19H19FN2O3/c1-21-18(23)13-5-2-4-12(10-13)16-11-15(8-9-17(16)20)25-19(24)22-14-6-3-7-14/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyZGDJIODSHQUVFN-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate?
The IUPAC name of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate (CID 118438273) is [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate.
What is the SMILES notation for [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate?
The canonical SMILES for [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate is CNC(=O)c1cccc(-c2cc(OC(=O)NC3CCC3)ccc2F)c1.
What is the InChIKey of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate?
The InChIKey is ZGDJIODSHQUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-21-18(23)13-5-2-4-12(10-13)16-11-15(8-9-17(16)20)25-19(24)22-14-6-3-7-14/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate?
[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate has a molecular weight of 342.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclobutylcarbamate is sourced from PubChem (CID 118438273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).