propyl 2-[(2-fluorobenzoyl)-methylamino]acetate

C13H16FNO3 — CID 91711904

IUPACpropyl 2-[(2-fluorobenzoyl)-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-3-8-18-12(16)9-15(2)13(17)10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3
InChIKeyCTYBLBDVHGMMKF-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.85
Rot. Bonds5

About propyl 2-[(2-fluorobenzoyl)-methylamino]acetate

propyl 2-[(2-fluorobenzoyl)-methylamino]acetate (PubChem CID 91711904) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is propyl 2-[(2-fluorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namepropyl 2-[(2-fluorobenzoyl)-methylamino]acetate
PubChem CID91711904
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namepropyl 2-[(2-fluorobenzoyl)-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-3-8-18-12(16)9-15(2)13(17)10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3
InChIKeyCTYBLBDVHGMMKF-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

decyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711916
propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate
CID 91717480
octyl 2-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463
pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 91715427
pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722124
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
propyl 2-[(5-fluoro-2-nitrobenzoyl)-methylamino]acetate
CID 156771018
propyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 91700657
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
ethyl 2-[(2-fluoro-4-hydroxybenzoyl)-methylamino]acetate
CID 113355630

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(2-fluorobenzoyl)-methylamino]acetate?
The IUPAC name of propyl 2-[(2-fluorobenzoyl)-methylamino]acetate (CID 91711904) is propyl 2-[(2-fluorobenzoyl)-methylamino]acetate.
What is the SMILES notation for propyl 2-[(2-fluorobenzoyl)-methylamino]acetate?
The canonical SMILES for propyl 2-[(2-fluorobenzoyl)-methylamino]acetate is CCCOC(=O)CN(C)C(=O)c1ccccc1F.
What is the InChIKey of propyl 2-[(2-fluorobenzoyl)-methylamino]acetate?
The InChIKey is CTYBLBDVHGMMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-3-8-18-12(16)9-15(2)13(17)10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3.
What are the key properties of propyl 2-[(2-fluorobenzoyl)-methylamino]acetate?
propyl 2-[(2-fluorobenzoyl)-methylamino]acetate has a molecular weight of 253.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(2-fluorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 91711904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).