ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate

C11H12F2N2O3 — CID 17174426

IUPACethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N2O3/c1-2-18-10(16)6-14-11(17)15-7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3,(H2,14,15,17)
InChIKeyFNPDQCYNVQZTRC-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.65
Rot. Bonds4

About ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate

ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate (PubChem CID 17174426) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
PubChem CID17174426
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Nameethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N2O3/c1-2-18-10(16)6-14-11(17)15-7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3,(H2,14,15,17)
InChIKeyFNPDQCYNVQZTRC-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
CID 62813455
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
CID 103601355
ethyl 2-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]sulfanylacetate
CID 9286921
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
CID 127584836
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
ethyl 4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]butanoate
CID 60648232
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate (CID 17174426) is ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate?
The InChIKey is FNPDQCYNVQZTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-2-18-10(16)6-14-11(17)15-7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate?
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate has a molecular weight of 258.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate is sourced from PubChem (CID 17174426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).