3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide

C11H13FN2O3 — CID 60785607

IUPAC3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
SMILESCCOCC(=O)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C11H13FN2O3/c1-2-17-6-10(15)14-9-5-7(11(13)16)3-4-8(9)12/h3-5H,2,6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyVWNTVBOWKFRSPV-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.90
Rot. Bonds5

About 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide

3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide (PubChem CID 60785607) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
PubChem CID60785607
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
SMILESCCOCC(=O)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C11H13FN2O3/c1-2-17-6-10(15)14-9-5-7(11(13)16)3-4-8(9)12/h3-5H,2,6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyVWNTVBOWKFRSPV-UHFFFAOYSA-N
XLogP0.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
4-fluoro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875509
6-(5-carbamoyl-2-fluoroanilino)-6-oxohexanoic acid
CID 60940783
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
3-(5-chloropentanoylamino)-4-fluorobenzamide
CID 43698667
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzamide
CID 115431791
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
CID 102851126
2-(2-aminoethoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 79464256
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903222
methyl 4-fluoro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 47418207
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide?
The IUPAC name of 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide (CID 60785607) is 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide?
The canonical SMILES for 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide is CCOCC(=O)Nc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide?
The InChIKey is VWNTVBOWKFRSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-2-17-6-10(15)14-9-5-7(11(13)16)3-4-8(9)12/h3-5H,2,6H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide?
3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide has a molecular weight of 240.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide is sourced from PubChem (CID 60785607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).