tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate

C15H19F3N2O4 — CID 136562269

IUPACtert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate
SMILESCCOCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(F)c(F)c1F
InChIInChI=1S/C15H19F3N2O4/c1-5-23-7-10(21)19-8-6-9(12(17)13(18)11(8)16)20-14(22)24-15(2,3)4/h6H,5,7H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRXJFFCHWQSCTIG-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.43
Rot. Bonds5

About tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate

tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate (PubChem CID 136562269) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate
PubChem CID136562269
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Nametert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate
SMILESCCOCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(F)c(F)c1F
InChIInChI=1S/C15H19F3N2O4/c1-5-23-7-10(21)19-8-6-9(12(17)13(18)11(8)16)20-14(22)24-15(2,3)4/h6H,5,7H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRXJFFCHWQSCTIG-UHFFFAOYSA-N
XLogP3.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2,3,4-trifluoro-5-(3-methoxypropanoylamino)phenyl]carbamate
CID 136562270
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
CID 56783735
2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646149
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide
CID 75502045
tert-butyl N-(2-fluoro-5-formyl-3,4-dihydroxyphenyl)carbamate
CID 84809357
tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate
CID 117113919
tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate
CID 67813213
methyl 3,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 177331943
tert-butyl N-[2-chloro-4-(1-ethoxyethenyl)-3-fluorophenyl]carbamate
CID 164842667
tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate
CID 170730862

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate (CID 136562269) is tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate is CCOCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(F)c(F)c1F.
What is the InChIKey of tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate?
The InChIKey is RXJFFCHWQSCTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-5-23-7-10(21)19-8-6-9(12(17)13(18)11(8)16)20-14(22)24-15(2,3)4/h6H,5,7H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate?
tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate has a molecular weight of 348.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate is sourced from PubChem (CID 136562269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).