[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

C21H22FNO5 — CID 7885788

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H22FNO5/c1-2-3-12-27-16-10-8-15(9-11-16)21(26)23-13-20(25)28-14-19(24)17-6-4-5-7-18(17)22/h4-11H,2-3,12-14H2,1H3,(H,23,26)
InChIKeyYHQFVZFZNGJANO-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.16
Rot. Bonds10

About [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate (PubChem CID 7885788) has the molecular formula C21H22FNO5 and a molecular weight of 387.41 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
PubChem CID7885788
Molecular FormulaC21H22FNO5
Molecular Weight387.41 g/mol
Exact Mass387.15
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H22FNO5/c1-2-3-12-27-16-10-8-15(9-11-16)21(26)23-13-20(25)28-14-19(24)17-6-4-5-7-18(17)22/h4-11H,2-3,12-14H2,1H3,(H,23,26)
InChIKeyYHQFVZFZNGJANO-UHFFFAOYSA-N
XLogP3.16
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905848
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24540215
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885614
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42966217
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate (CID 7885788) is [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate is CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2F)cc1.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The InChIKey is YHQFVZFZNGJANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO5/c1-2-3-12-27-16-10-8-15(9-11-16)21(26)23-13-20(25)28-14-19(24)17-6-4-5-7-18(17)22/h4-11H,2-3,12-14H2,1H3,(H,23,26).
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate has a molecular weight of 387.41 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate is sourced from PubChem (CID 7885788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).