3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate

C21H20F2N2O6 — CID 18286992

IUPAC3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCCCOC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C21H20F2N2O6/c22-16-8-3-1-6-14(16)20(28)24-12-18(26)30-10-5-11-31-19(27)13-25-21(29)15-7-2-4-9-17(15)23/h1-4,6-9H,5,10-13H2,(H,24,28)(H,25,29)
InChIKeyNDPHQQHCUXSWAN-UHFFFAOYSA-N
MW434.40 g/mol
LogP1.60
Rot. Bonds10

About 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate

3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 18286992) has the molecular formula C21H20F2N2O6 and a molecular weight of 434.40 g/mol. Its IUPAC name is 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID18286992
Molecular FormulaC21H20F2N2O6
Molecular Weight434.40 g/mol
Exact Mass434.13
IUPAC Name3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCCCOC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C21H20F2N2O6/c22-16-8-3-1-6-14(16)20(28)24-12-18(26)30-10-5-11-31-19(27)13-25-21(29)15-7-2-4-9-17(15)23/h1-4,6-9H,5,10-13H2,(H,24,28)(H,25,29)
InChIKeyNDPHQQHCUXSWAN-UHFFFAOYSA-N
XLogP1.60
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2601985
2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate
CID 55316806
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270269
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate (CID 18286992) is 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCCCOC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is NDPHQQHCUXSWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O6/c22-16-8-3-1-6-14(16)20(28)24-12-18(26)30-10-5-11-31-19(27)13-25-21(29)15-7-2-4-9-17(15)23/h1-4,6-9H,5,10-13H2,(H,24,28)(H,25,29).
What are the key properties of 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate?
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 434.40 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 18286992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).