ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate

C18H18FNO3 — CID 27844298

IUPACethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-2-23-18(22)15-5-3-4-6-16(15)20-17(21)12-9-13-7-10-14(19)11-8-13/h3-8,10-11H,2,9,12H2,1H3,(H,20,21)
InChIKeyXFFLODYILVQVDN-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.57
Rot. Bonds6

About ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate

ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate (PubChem CID 27844298) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
PubChem CID27844298
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Nameethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-2-23-18(22)15-5-3-4-6-16(15)20-17(21)12-9-13-7-10-14(19)11-8-13/h3-8,10-11H,2,9,12H2,1H3,(H,20,21)
InChIKeyXFFLODYILVQVDN-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
ethyl 2-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100593471
ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate
CID 110298164
methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101
ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate
CID 163216114
ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
CID 100648056
ethyl 2-(propanoylamino)benzoate
CID 4190428
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7791717
ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate
CID 109042084

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate?
The IUPAC name of ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate (CID 27844298) is ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate?
The canonical SMILES for ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate?
The InChIKey is XFFLODYILVQVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-2-23-18(22)15-5-3-4-6-16(15)20-17(21)12-9-13-7-10-14(19)11-8-13/h3-8,10-11H,2,9,12H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate?
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate has a molecular weight of 315.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate is sourced from PubChem (CID 27844298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).