tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate

C14H19BrF2N2O4 — CID 175311842

IUPACtert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
SMILESCC(COc1cc(Br)cn(C(F)F)c1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19BrF2N2O4/c1-8(18-13(21)23-14(2,3)4)7-22-10-5-9(15)6-19(11(10)20)12(16)17/h5-6,8,12H,7H2,1-4H3,(H,18,21)
InChIKeyZQBNNBXSDORHAC-UHFFFAOYSA-N
MW397.22 g/mol
LogP3.30
Rot. Bonds5

About tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate

tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate (PubChem CID 175311842) has the molecular formula C14H19BrF2N2O4 and a molecular weight of 397.22 g/mol. Its IUPAC name is tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
PubChem CID175311842
Molecular FormulaC14H19BrF2N2O4
Molecular Weight397.22 g/mol
Exact Mass396.05
IUPAC Nametert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
SMILESCC(COc1cc(Br)cn(C(F)F)c1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19BrF2N2O4/c1-8(18-13(21)23-14(2,3)4)7-22-10-5-9(15)6-19(11(10)20)12(16)17/h5-6,8,12H,7H2,1-4H3,(H,18,21)
InChIKeyZQBNNBXSDORHAC-UHFFFAOYSA-N
XLogP3.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate with MolForge

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Related Compounds

[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 156539891
1-[[5-Amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
CID 156539893
[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 156540129
1-[[5-Bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
CID 156540130
tert-butyl N-[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
CID 156563404
tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
CID 156563845
tert-butyl N-[1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
CID 175311744
[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate
CID 175311841
[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate
CID 175311863
1-[[5-Bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate
CID 175311864

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate (CID 175311842) is tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate is CC(COc1cc(Br)cn(C(F)F)c1=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate?
The InChIKey is ZQBNNBXSDORHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2O4/c1-8(18-13(21)23-14(2,3)4)7-22-10-5-9(15)6-19(11(10)20)12(16)17/h5-6,8,12H,7H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate?
tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate has a molecular weight of 397.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate is sourced from PubChem (CID 175311842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).