methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate

C11H11F3N2O4 — CID 115565125

IUPACmethyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O4/c1-19-9(17)6-15-10(18)16-7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,6H2,1H3,(H2,15,16,18)
InChIKeyQELIGNBEDXAJII-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate

methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate (PubChem CID 115565125) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
PubChem CID115565125
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Namemethyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O4/c1-19-9(17)6-15-10(18)16-7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,6H2,1H3,(H2,15,16,18)
InChIKeyQELIGNBEDXAJII-UHFFFAOYSA-N
XLogP1.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
1-[2-methyl-3-(methylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565113
1-pent-3-ynyl-3-[4-(trifluoromethoxy)phenyl]urea
CID 115976976
1-[(E)-pent-3-enyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115629281
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 121137397
1-(4-amino-2-methylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565179
1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 6975841
methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
CID 108875415
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
1-[(3-aminocyclobutyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565176

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate?
The IUPAC name of methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate (CID 115565125) is methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate?
The canonical SMILES for methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate is COC(=O)CNC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate?
The InChIKey is QELIGNBEDXAJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-19-9(17)6-15-10(18)16-7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,6H2,1H3,(H2,15,16,18).
What are the key properties of methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate?
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate has a molecular weight of 292.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate is sourced from PubChem (CID 115565125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).