[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

C23H20FNO4 — CID 8667150

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1F
InChIInChI=1S/C23H20FNO4/c1-28-21-12-11-16(13-19(21)24)14-23(27)29-15-22(26)25-20-10-6-5-9-18(20)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,25,26)
InChIKeyFTJWNSUHYXBNOH-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.23
Rot. Bonds7

About [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 8667150) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID8667150
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1F
InChIInChI=1S/C23H20FNO4/c1-28-21-12-11-16(13-19(21)24)14-23(27)29-15-22(26)25-20-10-6-5-9-18(20)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,25,26)
InChIKeyFTJWNSUHYXBNOH-UHFFFAOYSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-nitroanilino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667082
[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate
CID 7828531
2-(3-methoxy-4-methylphenyl)-N-(2-phenylphenyl)acetamide
CID 17476881
[2-oxo-2-(2-phenylanilino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8635249
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
N-(2-benzylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045822
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667587
[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
CID 8002666
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667626
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667128
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 8667150) is [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1F.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is FTJWNSUHYXBNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-28-21-12-11-16(13-19(21)24)14-23(27)29-15-22(26)25-20-10-6-5-9-18(20)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,25,26).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 393.41 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 8667150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).