[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

C27H27FN2O5 — CID 42982115

IUPAC[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H27FN2O5/c1-18(20-10-12-21(28)13-11-20)29-26(32)17-35-27(33)23-5-3-4-6-24(23)30-25(31)16-9-19-7-14-22(34-2)15-8-19/h3-8,10-15,18H,9,16-17H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyAIJYXZKRDUGSGM-UHFFFAOYSA-N
MW478.52 g/mol
LogP4.44
Rot. Bonds10

About [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (PubChem CID 42982115) has the molecular formula C27H27FN2O5 and a molecular weight of 478.52 g/mol. Its IUPAC name is [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Name[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
PubChem CID42982115
Molecular FormulaC27H27FN2O5
Molecular Weight478.52 g/mol
Exact Mass478.19
IUPAC Name[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H27FN2O5/c1-18(20-10-12-21(28)13-11-20)29-26(32)17-35-27(33)23-5-3-4-6-24(23)30-25(31)16-9-19-7-14-22(34-2)15-8-19/h3-8,10-15,18H,9,16-17H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyAIJYXZKRDUGSGM-UHFFFAOYSA-N
XLogP4.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate with MolForge

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Related Compounds

[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 43033084
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18285361
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558377
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (CID 42982115) is [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is AIJYXZKRDUGSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O5/c1-18(20-10-12-21(28)13-11-20)29-26(32)17-35-27(33)23-5-3-4-6-24(23)30-25(31)16-9-19-7-14-22(34-2)15-8-19/h3-8,10-15,18H,9,16-17H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 478.52 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 42982115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).