[2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate

C19H20FNO3 — CID 134957916

IUPAC[2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate
SMILESCCN(CC)C(=O)c1ccccc1COC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c1-3-21(4-2)18(22)17-8-6-5-7-15(17)13-24-19(23)14-9-11-16(20)12-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyNJZXPTJWBCEDBD-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.66
Rot. Bonds6

About [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate

[2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate (PubChem CID 134957916) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate
PubChem CID134957916
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate
SMILESCCN(CC)C(=O)c1ccccc1COC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c1-3-21(4-2)18(22)17-8-6-5-7-15(17)13-24-19(23)14-9-11-16(20)12-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyNJZXPTJWBCEDBD-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate?
The IUPAC name of [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate (CID 134957916) is [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate.
What is the SMILES notation for [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate?
The canonical SMILES for [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate is CCN(CC)C(=O)c1ccccc1COC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate?
The InChIKey is NJZXPTJWBCEDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-3-21(4-2)18(22)17-8-6-5-7-15(17)13-24-19(23)14-9-11-16(20)12-10-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate?
[2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate has a molecular weight of 329.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylcarbamoyl)phenyl]methyl 4-fluorobenzoate is sourced from PubChem (CID 134957916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).