[2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate

C19H20FNO3 — CID 134957915

IUPAC[2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c1-3-21(4-2)19(23)24-13-15-7-5-6-8-17(15)18(22)14-9-11-16(20)12-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyRUWBGUANNLXEPX-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.04
Rot. Bonds6

About [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate

[2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate (PubChem CID 134957915) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate
PubChem CID134957915
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c1-3-21(4-2)19(23)24-13-15-7-5-6-8-17(15)18(22)14-9-11-16(20)12-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyRUWBGUANNLXEPX-UHFFFAOYSA-N
XLogP4.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate?
The IUPAC name of [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate (CID 134957915) is [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate.
What is the SMILES notation for [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate?
The canonical SMILES for [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCc1ccccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate?
The InChIKey is RUWBGUANNLXEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-3-21(4-2)19(23)24-13-15-7-5-6-8-17(15)18(22)14-9-11-16(20)12-10-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate?
[2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate has a molecular weight of 329.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorobenzoyl)phenyl]methyl N,N-diethylcarbamate is sourced from PubChem (CID 134957915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).