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

C13H17FN2O3 — CID 43385174

IUPACethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-2-19-12(17)9-16-13(18)15-8-7-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H2,15,16,18)
InChIKeyPFTJSAPZPBCLBD-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.23
Rot. Bonds6

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

ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate (PubChem CID 43385174) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
PubChem CID43385174
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Nameethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-2-19-12(17)9-16-13(18)15-8-7-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H2,15,16,18)
InChIKeyPFTJSAPZPBCLBD-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428
methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
CID 60591384
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434
ethyl (2S)-2-ethoxy-3,3,3-trifluoro-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoate
CID 42583501
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate
CID 22575181
ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
CID 108900641
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate (CID 43385174) is ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCc1ccccc1F.
What is the InChIKey of ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate?
The InChIKey is PFTJSAPZPBCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-2-19-12(17)9-16-13(18)15-8-7-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H2,15,16,18).
What are the key properties of ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate?
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate has a molecular weight of 268.29 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 43385174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).