[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

C17H14F2N2O4 — CID 7877443

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(F)cc1)Nc1cccc(F)c1
InChIInChI=1S/C17H14F2N2O4/c18-12-6-4-11(5-7-12)17(24)20-9-16(23)25-10-15(22)21-14-3-1-2-13(19)8-14/h1-8H,9-10H2,(H,20,24)(H,21,22)
InChIKeyHWRSFTAPBRBICG-UHFFFAOYSA-N
MW348.31 g/mol
LogP1.88
Rot. Bonds6

About [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 7877443) has the molecular formula C17H14F2N2O4 and a molecular weight of 348.31 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID7877443
Molecular FormulaC17H14F2N2O4
Molecular Weight348.31 g/mol
Exact Mass348.09
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(F)cc1)Nc1cccc(F)c1
InChIInChI=1S/C17H14F2N2O4/c18-12-6-4-11(5-7-12)17(24)20-9-16(23)25-10-15(22)21-14-3-1-2-13(19)8-14/h1-8H,9-10H2,(H,20,24)(H,21,22)
InChIKeyHWRSFTAPBRBICG-UHFFFAOYSA-N
XLogP1.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55303991
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878170
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 29155285
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
[2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878238
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 16598734
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662810

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (CID 7877443) is [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(F)cc1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is HWRSFTAPBRBICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4/c18-12-6-4-11(5-7-12)17(24)20-9-16(23)25-10-15(22)21-14-3-1-2-13(19)8-14/h1-8H,9-10H2,(H,20,24)(H,21,22).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 348.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 7877443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).