ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate

C12H15FN2O3 — CID 17174428

IUPACethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1ccccc1F
InChIInChI=1S/C12H15FN2O3/c1-2-18-11(16)8-15-12(17)14-7-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H2,14,15,17)
InChIKeyIHFDFVUQQHLENJ-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.19
Rot. Bonds5

About ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate

ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate (PubChem CID 17174428) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
PubChem CID17174428
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1ccccc1F
InChIInChI=1S/C12H15FN2O3/c1-2-18-11(16)8-15-12(17)14-7-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H2,14,15,17)
InChIKeyIHFDFVUQQHLENJ-UHFFFAOYSA-N
XLogP1.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate
CID 108897590
ethyl 2,2-difluoro-3-[(2-fluorophenyl)methylamino]-3-oxopropanoate
CID 112743058
1-(3-ethoxypropyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897476
ethyl 3-[(2-fluorophenyl)methylamino]propanoate;hydrochloride
CID 126479427
ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 60638891
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
1-(3-aminopropyl)-3-[(2-fluorophenyl)methyl]urea
CID 117235553
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8574553
ethyl 2-[[cyclohexyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]acetate
CID 4184898

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate (CID 17174428) is ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1ccccc1F.
What is the InChIKey of ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate?
The InChIKey is IHFDFVUQQHLENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-2-18-11(16)8-15-12(17)14-7-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate?
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate has a molecular weight of 254.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate is sourced from PubChem (CID 17174428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).