ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate

C18H19FN2O3 — CID 109042084

IUPACethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCNc1cccc(F)c1
InChIInChI=1S/C18H19FN2O3/c1-2-24-18(23)15-8-3-4-9-16(15)21-17(22)10-11-20-14-7-5-6-13(19)12-14/h3-9,12,20H,2,10-11H2,1H3,(H,21,22)
InChIKeyJFMIZEPPAHDBKH-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.44
Rot. Bonds7

About ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate

ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate (PubChem CID 109042084) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate
PubChem CID109042084
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Nameethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCNc1cccc(F)c1
InChIInChI=1S/C18H19FN2O3/c1-2-24-18(23)15-8-3-4-9-16(15)21-17(22)10-11-20-14-7-5-6-13(19)12-14/h3-9,12,20H,2,10-11H2,1H3,(H,21,22)
InChIKeyJFMIZEPPAHDBKH-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate 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

ethyl 2-[3-(3,4-dimethylanilino)propanoylamino]benzoate
CID 109035585
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]amino]benzoate
CID 109041347
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9082931
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
ethyl 2-(propanoylamino)benzoate
CID 4190428
2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid
CID 10850874
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[[2-(3-acetamido-4-fluoroanilino)acetyl]amino]benzoate
CID 31767371
ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate
CID 26438599
ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate
CID 110298164
ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7958134

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate?
The IUPAC name of ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate (CID 109042084) is ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate?
The canonical SMILES for ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCNc1cccc(F)c1.
What is the InChIKey of ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate?
The InChIKey is JFMIZEPPAHDBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-24-18(23)15-8-3-4-9-16(15)21-17(22)10-11-20-14-7-5-6-13(19)12-14/h3-9,12,20H,2,10-11H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate?
ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate has a molecular weight of 330.36 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate is sourced from PubChem (CID 109042084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).