ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate

C11H13FN2O3 — CID 60876205

IUPACethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H13FN2O3/c1-2-17-10(15)6-14-11(16)8-5-7(12)3-4-9(8)13/h3-5H,2,6,13H2,1H3,(H,14,16)
InChIKeyYWQHEQQYRMBBFY-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.70
Rot. Bonds4

About ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate

ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate (PubChem CID 60876205) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate
PubChem CID60876205
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H13FN2O3/c1-2-17-10(15)6-14-11(16)8-5-7(12)3-4-9(8)13/h3-5H,2,6,13H2,1H3,(H,14,16)
InChIKeyYWQHEQQYRMBBFY-UHFFFAOYSA-N
XLogP0.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 94411
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2-(Morpholine-4-carbonyl)aniline
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2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
l-Alanine, N-(4-fluorobenzoyl)-, methyl ester
CID 531396
2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid
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Methyl n-(2-aminobenzoyl)glycinate
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P-aminohippurate
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2-amino-N-propylbenzamide
CID 1653335
2-amino-N-(prop-2-en-1-yl)benzamide
CID 2062656

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate (CID 60876205) is ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(F)ccc1N.
What is the InChIKey of ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate?
The InChIKey is YWQHEQQYRMBBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-2-17-10(15)6-14-11(16)8-5-7(12)3-4-9(8)13/h3-5H,2,6,13H2,1H3,(H,14,16).
What are the key properties of ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate?
ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate has a molecular weight of 240.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 60876205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).