methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate

C11H11F3N2O3 — CID 47129086

IUPACmethyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
SMILESCOC(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O3/c1-16(11(18)19-2)5-8(17)15-7-4-3-6(12)9(13)10(7)14/h3-4H,5H2,1-2H3,(H,15,17)
InChIKeyUSBLHQXVTHFVCL-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.74
Rot. Bonds3

About methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate

methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate (PubChem CID 47129086) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
PubChem CID47129086
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Namemethyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
SMILESCOC(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O3/c1-16(11(18)19-2)5-8(17)15-7-4-3-6(12)9(13)10(7)14/h3-4H,5H2,1-2H3,(H,15,17)
InChIKeyUSBLHQXVTHFVCL-UHFFFAOYSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7936390
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
CID 2534365
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 26311942
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27786720
N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2450403
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide
CID 27786711
2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propan-2-ylamino]acetic acid
CID 60839471
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113163015
methyl (2S,3R)-3-methyl-2-[[2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetyl]amino]pentanoate
CID 8550979
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate?
The IUPAC name of methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate (CID 47129086) is methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate is COC(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate?
The InChIKey is USBLHQXVTHFVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-16(11(18)19-2)5-8(17)15-7-4-3-6(12)9(13)10(7)14/h3-4H,5H2,1-2H3,(H,15,17).
What are the key properties of methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate?
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate has a molecular weight of 276.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate is sourced from PubChem (CID 47129086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).