phenacyl 2-[(2-fluorobenzoyl)amino]acetate

C17H14FNO4 — CID 2357812

IUPACphenacyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccccc1
InChIInChI=1S/C17H14FNO4/c18-14-9-5-4-8-13(14)17(22)19-10-16(21)23-11-15(20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)
InChIKeyVKLRTAIZPGTOHA-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.98
Rot. Bonds6

About phenacyl 2-[(2-fluorobenzoyl)amino]acetate

phenacyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 2357812) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is phenacyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namephenacyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID2357812
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Namephenacyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccccc1
InChIInChI=1S/C17H14FNO4/c18-14-9-5-4-8-13(14)17(22)19-10-16(21)23-11-15(20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)
InChIKeyVKLRTAIZPGTOHA-UHFFFAOYSA-N
XLogP1.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenacyl 2-[(2-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-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270035
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 31633447
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602179
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270039
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4857641
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270497
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4801774

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of phenacyl 2-[(2-fluorobenzoyl)amino]acetate (CID 2357812) is phenacyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for phenacyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for phenacyl 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is VKLRTAIZPGTOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c18-14-9-5-4-8-13(14)17(22)19-10-16(21)23-11-15(20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22).
What are the key properties of phenacyl 2-[(2-fluorobenzoyl)amino]acetate?
phenacyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 315.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2357812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).