2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate

C12H13F3N2O3 — CID 2767952

IUPAC2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
SMILESCNC(=O)c1ccc(CNC(=O)OCC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-16-10(18)9-4-2-8(3-5-9)6-17-11(19)20-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyZMEVUXADRITANL-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.83
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate

2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate (PubChem CID 2767952) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
PubChem CID2767952
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
SMILESCNC(=O)c1ccc(CNC(=O)OCC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-16-10(18)9-4-2-8(3-5-9)6-17-11(19)20-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyZMEVUXADRITANL-UHFFFAOYSA-N
XLogP1.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl hippurate
CID 14566
4-Formyl-N-(1-methylethyl)benzamide
CID 83270
Ethyl Hippurate
CID 226558
Glycine, N-(2-fluorobenzoyl)-, methyl ester
CID 531413
N,N-Dimethyl-p-trifluorobenzamide
CID 141240
2-fluoro-N-methylbenzamide
CID 2425972
Glycine, N-(4-fluorobenzoyl)-, methyl ester
CID 531397
N-propyl-3-(trifluoromethyl)benzenecarboxamide
CID 2767296
N1,N4-Dimethyl-1,4-benzenedicarboxamide
CID 96246
4-formyl-N-methylbenzamide
CID 10487212
2-((4-(Trifluoromethyl)phenyl)formamido)acetic acid
CID 2305084
N-Methyl-p-toluamide
CID 140377

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate (CID 2767952) is 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate is CNC(=O)c1ccc(CNC(=O)OCC(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate?
The InChIKey is ZMEVUXADRITANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-16-10(18)9-4-2-8(3-5-9)6-17-11(19)20-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate?
2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate has a molecular weight of 290.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 2767952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).