[3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate

C23H19F2NO3 — CID 67418000

IUPAC[3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate
SMILESO=C(NCC(COC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H19F2NO3/c24-20-10-6-17(7-11-20)22(27)26-14-19(16-4-2-1-3-5-16)15-29-23(28)18-8-12-21(25)13-9-18/h1-13,19H,14-15H2,(H,26,27)
InChIKeyAQTUSDAJUNMTJS-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.34
Rot. Bonds7

About [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate

[3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate (PubChem CID 67418000) has the molecular formula C23H19F2NO3 and a molecular weight of 395.41 g/mol. Its IUPAC name is [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate
PubChem CID67418000
Molecular FormulaC23H19F2NO3
Molecular Weight395.41 g/mol
Exact Mass395.13
IUPAC Name[3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate
SMILESO=C(NCC(COC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H19F2NO3/c24-20-10-6-17(7-11-20)22(27)26-14-19(16-4-2-1-3-5-16)15-29-23(28)18-8-12-21(25)13-9-18/h1-13,19H,14-15H2,(H,26,27)
InChIKeyAQTUSDAJUNMTJS-UHFFFAOYSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate?
The IUPAC name of [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate (CID 67418000) is [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate.
What is the SMILES notation for [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate?
The canonical SMILES for [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate is O=C(NCC(COC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate?
The InChIKey is AQTUSDAJUNMTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO3/c24-20-10-6-17(7-11-20)22(27)26-14-19(16-4-2-1-3-5-16)15-29-23(28)18-8-12-21(25)13-9-18/h1-13,19H,14-15H2,(H,26,27).
What are the key properties of [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate?
[3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate has a molecular weight of 395.41 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate is sourced from PubChem (CID 67418000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).