ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate

C11H11F3N2O3 — CID 3054397

IUPACethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCCOC(=O)N(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O3/c1-2-19-10(18)16(9(15)17)8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H2,15,17)
InChIKeyXIKPYGNPUIVKGX-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.75
Rot. Bonds2

About ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate

ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 3054397) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID3054397
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Nameethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCCOC(=O)N(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O3/c1-2-19-10(18)16(9(15)17)8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H2,15,17)
InChIKeyXIKPYGNPUIVKGX-UHFFFAOYSA-N
XLogP2.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
ethyl N-(3-bromophenyl)-N-carbamoylcarbamate
CID 3054380
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061465
propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 140972623
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
3-[N-carbamoyl-3-(trifluoromethyl)anilino]benzoic acid
CID 18471636
ethyl 3-amino-3-[3-(trifluoromethyl)anilino]prop-2-enoate
CID 2774309
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
ethyl 5-[hydroxy-bis[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxylate
CID 86622215
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
4-[N-carbamoyl-3-(trifluoromethyl)anilino]benzoic acid
CID 70144203
ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate
CID 12717579

Frequently Asked Questions

What is the IUPAC name of ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate (CID 3054397) is ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate is CCOC(=O)N(C(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is XIKPYGNPUIVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-2-19-10(18)16(9(15)17)8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H2,15,17).
What are the key properties of ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate?
ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 276.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 3054397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).