methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate

C11H13FN2O3 — CID 54927669

IUPACmethyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H13FN2O3/c1-6-8(12)3-7(4-9(6)13)11(16)14-5-10(15)17-2/h3-4H,5,13H2,1-2H3,(H,14,16)
InChIKeyOJYGBBXCEFEQEG-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.62
Rot. Bonds3

About methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate

methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate (PubChem CID 54927669) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
PubChem CID54927669
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Namemethyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H13FN2O3/c1-6-8(12)3-7(4-9(6)13)11(16)14-5-10(15)17-2/h3-4H,5,13H2,1-2H3,(H,14,16)
InChIKeyOJYGBBXCEFEQEG-UHFFFAOYSA-N
XLogP0.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.62
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

3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
CID 63186625
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate
CID 61309264
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 107150575

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate (CID 54927669) is methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate is COC(=O)CNC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate?
The InChIKey is OJYGBBXCEFEQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-6-8(12)3-7(4-9(6)13)11(16)14-5-10(15)17-2/h3-4H,5,13H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate?
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate has a molecular weight of 240.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 54927669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).