ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate

C11H12FNO4 — CID 122388095

IUPACethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate
SMILESCCOC(=O)C(O)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4/c1-2-17-11(16)10(15)13-9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,14)
InChIKeyQHPDVIRTPMOVHV-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.44
Rot. Bonds4

About ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate

ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate (PubChem CID 122388095) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate
PubChem CID122388095
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Nameethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate
SMILESCCOC(=O)C(O)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4/c1-2-17-11(16)10(15)13-9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,14)
InChIKeyQHPDVIRTPMOVHV-UHFFFAOYSA-N
XLogP0.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
CID 121220788
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707
ethyl (2S,3S)-3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 163362371
ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]propanoate
CID 19166851
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
ethyl 3-(4-fluorophenyl)-2-hydroxybut-3-enoate
CID 121013432
diethyl 2-[(4-methylbenzoyl)amino]propanedioate
CID 17447783
heptadecyl 2-[(4-fluorobenzoyl)amino]propanoate
CID 6424542
4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 40598411
ethyl N-(4-fluorobenzoyl)-N'-propylcarbamimidate
CID 3880683
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl (3R)-3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 7045197

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate (CID 122388095) is ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate is CCOC(=O)C(O)NC(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate?
The InChIKey is QHPDVIRTPMOVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-2-17-11(16)10(15)13-9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate?
ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate has a molecular weight of 241.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate is sourced from PubChem (CID 122388095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).