ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate

C13H15F3N2O3 — CID 108573656

IUPACethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-2-21-12(20)18-8-7-17-11(19)9-5-3-4-6-10(9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyAHDJNZLKBQXZJR-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.18
Rot. Bonds5

About ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate

ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate (PubChem CID 108573656) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
PubChem CID108573656
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Nameethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-2-21-12(20)18-8-7-17-11(19)9-5-3-4-6-10(9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyAHDJNZLKBQXZJR-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573667
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate
CID 108921622
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573645
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
ethyl (Z)-2-methyl-3-[2-(trifluoromethyl)phenyl]but-2-enoate
CID 113420082

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate (CID 108573656) is ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate?
The InChIKey is AHDJNZLKBQXZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-2-21-12(20)18-8-7-17-11(19)9-5-3-4-6-10(9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate?
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate has a molecular weight of 304.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 108573656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).