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

C17H16FNO3 — CID 32989548

IUPACmethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-22-17(21)14-4-2-3-5-15(14)19-16(20)11-8-12-6-9-13(18)10-7-12/h2-7,9-10H,8,11H2,1H3,(H,19,20)
InChIKeyPBUUFDXROACPKZ-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.18
Rot. Bonds5

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

methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate (PubChem CID 32989548) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
PubChem CID32989548
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-22-17(21)14-4-2-3-5-15(14)19-16(20)11-8-12-6-9-13(18)10-7-12/h2-7,9-10H,8,11H2,1H3,(H,19,20)
InChIKeyPBUUFDXROACPKZ-UHFFFAOYSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115
N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
CID 51194781
2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18285361
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
3-(4-fluorophenyl)-N-(2-methoxy-3-methylphenyl)propanamide
CID 71104305

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate (CID 32989548) is methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate?
The InChIKey is PBUUFDXROACPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-22-17(21)14-4-2-3-5-15(14)19-16(20)11-8-12-6-9-13(18)10-7-12/h2-7,9-10H,8,11H2,1H3,(H,19,20).
What are the key properties of methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate?
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate has a molecular weight of 301.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate is sourced from PubChem (CID 32989548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).