[1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate

C25H23F2NO3 — CID 67418540

IUPAC[1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate
SMILESCC(c1ccccc1)C(CCNC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1
InChIInChI=1S/C25H23F2NO3/c1-17(18-5-3-2-4-6-18)23(31-25(30)20-9-13-22(27)14-10-20)15-16-28-24(29)19-7-11-21(26)12-8-19/h2-14,17,23H,15-16H2,1H3,(H,28,29)
InChIKeyGYEJVOAIPQHQFG-UHFFFAOYSA-N
MW423.46 g/mol
LogP5.11
Rot. Bonds8

About [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate

[1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate (PubChem CID 67418540) has the molecular formula C25H23F2NO3 and a molecular weight of 423.46 g/mol. Its IUPAC name is [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate
PubChem CID67418540
Molecular FormulaC25H23F2NO3
Molecular Weight423.46 g/mol
Exact Mass423.16
IUPAC Name[1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate
SMILESCC(c1ccccc1)C(CCNC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1
InChIInChI=1S/C25H23F2NO3/c1-17(18-5-3-2-4-6-18)23(31-25(30)20-9-13-22(27)14-10-20)15-16-28-24(29)19-7-11-21(26)12-8-19/h2-14,17,23H,15-16H2,1H3,(H,28,29)
InChIKeyGYEJVOAIPQHQFG-UHFFFAOYSA-N
XLogP5.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate?
The IUPAC name of [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate (CID 67418540) is [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate.
What is the SMILES notation for [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate?
The canonical SMILES for [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate is CC(c1ccccc1)C(CCNC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate?
The InChIKey is GYEJVOAIPQHQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO3/c1-17(18-5-3-2-4-6-18)23(31-25(30)20-9-13-22(27)14-10-20)15-16-28-24(29)19-7-11-21(26)12-8-19/h2-14,17,23H,15-16H2,1H3,(H,28,29).
What are the key properties of [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate?
[1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate has a molecular weight of 423.46 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate is sourced from PubChem (CID 67418540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).