methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate

C18H18FNO3 — CID 134949752

IUPACmethyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(c1ccc(F)cc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C18H18FNO3/c1-13(21)20(12-14-6-4-3-5-7-14)17(18(22)23-2)15-8-10-16(19)11-9-15/h3-11,17H,12H2,1-2H3
InChIKeyJCSYMFGBLHQQPR-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.09
Rot. Bonds5

About methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate

methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate (PubChem CID 134949752) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate
PubChem CID134949752
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Namemethyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(c1ccc(F)cc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C18H18FNO3/c1-13(21)20(12-14-6-4-3-5-7-14)17(18(22)23-2)15-8-10-16(19)11-9-15/h3-11,17H,12H2,1-2H3
InChIKeyJCSYMFGBLHQQPR-UHFFFAOYSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate (CID 134949752) is methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate is COC(=O)C(c1ccc(F)cc1)N(Cc1ccccc1)C(C)=O.
What is the InChIKey of methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate?
The InChIKey is JCSYMFGBLHQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-13(21)20(12-14-6-4-3-5-7-14)17(18(22)23-2)15-8-10-16(19)11-9-15/h3-11,17H,12H2,1-2H3.
What are the key properties of methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate?
methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate has a molecular weight of 315.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl(benzyl)amino]-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 134949752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).