propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate

C13H15F2NO3 — CID 91717480

IUPACpropyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H15F2NO3/c1-3-7-19-11(17)8-16(2)13(18)12-9(14)5-4-6-10(12)15/h4-6H,3,7-8H2,1-2H3
InChIKeyKWPIFXGJDORBCR-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.99
Rot. Bonds5

About propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate

propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate (PubChem CID 91717480) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namepropyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate
PubChem CID91717480
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Namepropyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H15F2NO3/c1-3-7-19-11(17)8-16(2)13(18)12-9(14)5-4-6-10(12)15/h4-6H,3,7-8H2,1-2H3
InChIKeyKWPIFXGJDORBCR-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711904
decyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711916
pentyl 2-[(3-fluorobenzoyl)-methylamino]acetate
CID 91711909
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833
propyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 91700657
propyl 2-fluoro-6-methylbenzoate
CID 135122544
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
propyl 2-amino-6-fluorobenzoate
CID 43443196
N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107014890
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
propyl 2-[(5-fluoro-2-nitrobenzoyl)-methylamino]acetate
CID 156771018

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate?
The IUPAC name of propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate (CID 91717480) is propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate.
What is the SMILES notation for propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate?
The canonical SMILES for propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate is CCCOC(=O)CN(C)C(=O)c1c(F)cccc1F.
What is the InChIKey of propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate?
The InChIKey is KWPIFXGJDORBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-3-7-19-11(17)8-16(2)13(18)12-9(14)5-4-6-10(12)15/h4-6H,3,7-8H2,1-2H3.
What are the key properties of propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate?
propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate has a molecular weight of 271.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 91717480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).