ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate

C13H15F3N2O3 — CID 60706555

IUPACethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3/c1-3-21-11(19)7-17-12(20)18-9-5-4-8(2)10(6-9)13(14,15)16/h4-6H,3,7H2,1-2H3,(H2,17,18,20)
InChIKeyRNFXQXSPNQAUBS-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.70
Rot. Bonds4

About ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate

ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate (PubChem CID 60706555) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
PubChem CID60706555
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Nameethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3/c1-3-21-11(19)7-17-12(20)18-9-5-4-8(2)10(6-9)13(14,15)16/h4-6H,3,7H2,1-2H3,(H2,17,18,20)
InChIKeyRNFXQXSPNQAUBS-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
CID 62813455
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate
CID 103246942
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
CID 127584836
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
CID 134101188
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate?
The IUPAC name of ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate (CID 60706555) is ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate?
The InChIKey is RNFXQXSPNQAUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-3-21-11(19)7-17-12(20)18-9-5-4-8(2)10(6-9)13(14,15)16/h4-6H,3,7H2,1-2H3,(H2,17,18,20).
What are the key properties of ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate?
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate has a molecular weight of 304.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate is sourced from PubChem (CID 60706555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).