ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate

C12H14FNO3 — CID 54785133

IUPACethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-3-17-11(15)8-14(2)12(16)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyFZKUCXBKPCLOMN-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.46
Rot. Bonds4

About ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate

ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate (PubChem CID 54785133) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
PubChem CID54785133
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Nameethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-3-17-11(15)8-14(2)12(16)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyFZKUCXBKPCLOMN-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
ethyl 2-[(3-fluoro-4-methylbenzoyl)-methylamino]acetate
CID 55003691
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799
ethyl 2-[(4-fluorophenyl)carbamoyl-methylamino]acetate
CID 47981222
ethyl 2-[[(3Z)-4-amino-4-(4-fluorophenyl)buta-1,3-dien-2-yl]-methylamino]acetate
CID 89143159
ethyl 2-[[4-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785152
4-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 115968413
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate
CID 112701078

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate (CID 54785133) is ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate?
The InChIKey is FZKUCXBKPCLOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-3-17-11(15)8-14(2)12(16)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate?
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate has a molecular weight of 239.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 54785133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).