[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate

C22H17FN2O4 — CID 4576263

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C22H17FN2O4/c23-17-11-5-7-13-19(17)24-20(26)14-29-22(28)16-10-4-6-12-18(16)25-21(27)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyPNIKYLNDBVZXNZ-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.87
Rot. Bonds6

About [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate

[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate (PubChem CID 4576263) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
PubChem CID4576263
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C22H17FN2O4/c23-17-11-5-7-13-19(17)24-20(26)14-29-22(28)16-10-4-6-12-18(16)25-21(27)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyPNIKYLNDBVZXNZ-UHFFFAOYSA-N
XLogP3.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate 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-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221163
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
CID 2525027
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672
[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate
CID 3558595
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
3,3,3-trifluoropropyl 2-benzamidobenzoate
CID 9451697
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate (CID 4576263) is [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate is O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate?
The InChIKey is PNIKYLNDBVZXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c23-17-11-5-7-13-19(17)24-20(26)14-29-22(28)16-10-4-6-12-18(16)25-21(27)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,26)(H,25,27).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate?
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate has a molecular weight of 392.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate is sourced from PubChem (CID 4576263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).