ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate

C19H20FNO3 — CID 4310629

IUPACethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccccc1F)c1ccc(C)cc1
InChIInChI=1S/C19H20FNO3/c1-3-24-18(22)12-17(14-10-8-13(2)9-11-14)21-19(23)15-6-4-5-7-16(15)20/h4-11,17H,3,12H2,1-2H3,(H,21,23)
InChIKeyJTTDYRSXAFACQO-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.56
Rot. Bonds6

About ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate

ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate (PubChem CID 4310629) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
PubChem CID4310629
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Nameethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccccc1F)c1ccc(C)cc1
InChIInChI=1S/C19H20FNO3/c1-3-24-18(22)12-17(14-10-8-13(2)9-11-14)21-19(23)15-6-4-5-7-16(15)20/h4-11,17H,3,12H2,1-2H3,(H,21,23)
InChIKeyJTTDYRSXAFACQO-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate (CID 4310629) is ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate is CCOC(=O)CC(NC(=O)c1ccccc1F)c1ccc(C)cc1.
What is the InChIKey of ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
The InChIKey is JTTDYRSXAFACQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-3-24-18(22)12-17(14-10-8-13(2)9-11-14)21-19(23)15-6-4-5-7-16(15)20/h4-11,17H,3,12H2,1-2H3,(H,21,23).
What are the key properties of ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate has a molecular weight of 329.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 4310629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).