[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

C22H23FN2O5 — CID 2568954

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H23FN2O5/c1-22(2,3)16-9-7-14(8-10-16)21(29)25-18(26)13-30-19(27)12-24-20(28)15-5-4-6-17(23)11-15/h4-11H,12-13H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyXMEZPOGCGNYXQR-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.35
Rot. Bonds6

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 2568954) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID2568954
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H23FN2O5/c1-22(2,3)16-9-7-14(8-10-16)21(29)25-18(26)13-30-19(27)12-24-20(28)15-5-4-6-17(23)11-15/h4-11H,12-13H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyXMEZPOGCGNYXQR-UHFFFAOYSA-N
XLogP2.35
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 2568954) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)CNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is XMEZPOGCGNYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5/c1-22(2,3)16-9-7-14(8-10-16)21(29)25-18(26)13-30-19(27)12-24-20(28)15-5-4-6-17(23)11-15/h4-11H,12-13H2,1-3H3,(H,24,28)(H,25,26,29).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 414.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2568954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).