methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate

C15H13F3N2O3 — CID 1486050

IUPACmethyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C15H13F3N2O3/c1-23-14(22)19-12-5-2-10(3-6-12)8-20-9-11(15(16,17)18)4-7-13(20)21/h2-7,9H,8H2,1H3,(H,19,22)
InChIKeyBNJLNGAOIBKESC-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.09
Rot. Bonds3

About methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate

methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate (PubChem CID 1486050) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate
PubChem CID1486050
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Namemethyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C15H13F3N2O3/c1-23-14(22)19-12-5-2-10(3-6-12)8-20-9-11(15(16,17)18)4-7-13(20)21/h2-7,9H,8H2,1H3,(H,19,22)
InChIKeyBNJLNGAOIBKESC-UHFFFAOYSA-N
XLogP3.09
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate (CID 1486050) is methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate is COC(=O)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate?
The InChIKey is BNJLNGAOIBKESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-23-14(22)19-12-5-2-10(3-6-12)8-20-9-11(15(16,17)18)4-7-13(20)21/h2-7,9H,8H2,1H3,(H,19,22).
What are the key properties of methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate?
methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate has a molecular weight of 326.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]carbamate is sourced from PubChem (CID 1486050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).