4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate

C15H11FNO4- — CID 2219088

IUPAC4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
SMILESO=C(COc1ccc(C(=O)[O-])cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FNO4/c16-11-3-5-12(6-4-11)17-14(18)9-21-13-7-1-10(2-8-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)/p-1
InChIKeyPMMRXBGHVCUWFU-UHFFFAOYSA-M
MW288.25 g/mol
LogP1.21
Rot. Bonds5

About 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate

4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate (PubChem CID 2219088) has the molecular formula C15H11FNO4- and a molecular weight of 288.25 g/mol. Its IUPAC name is 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
PubChem CID2219088
Molecular FormulaC15H11FNO4-
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
SMILESO=C(COc1ccc(C(=O)[O-])cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FNO4/c16-11-3-5-12(6-4-11)17-14(18)9-21-13-7-1-10(2-8-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)/p-1
InChIKeyPMMRXBGHVCUWFU-UHFFFAOYSA-M
XLogP1.21
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-fluorophenoxy)acetyl]amino]benzoate
CID 7372868
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-hydroxyphenyl)acetamide
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2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide
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N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
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2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
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N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791695
N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 2204732
2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
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2-(4-fluorophenoxy)-N-(6-oxo-1H-pyridin-3-yl)acetamide
CID 110724946

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate?
The IUPAC name of 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate (CID 2219088) is 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate is O=C(COc1ccc(C(=O)[O-])cc1)Nc1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate?
The InChIKey is PMMRXBGHVCUWFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12FNO4/c16-11-3-5-12(6-4-11)17-14(18)9-21-13-7-1-10(2-8-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)/p-1.
What are the key properties of 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate?
4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate has a molecular weight of 288.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 2219088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).