methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate

C19H15BrF2N2O5 — CID 91594704

IUPACmethyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate
SMILESCOC(=O)Nc1ccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)o1
InChIInChI=1S/C19H15BrF2N2O5/c1-10-7-14(28-9-11-3-4-12(21)8-13(11)22)17(20)18(25)24(10)16-6-5-15(29-16)23-19(26)27-2/h3-8H,9H2,1-2H3,(H,23,26)
InChIKeyHPCYXTQYTKQUOG-UHFFFAOYSA-N
MW469.24 g/mol
LogP4.54
Rot. Bonds5

About methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate

methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate (PubChem CID 91594704) has the molecular formula C19H15BrF2N2O5 and a molecular weight of 469.24 g/mol. Its IUPAC name is methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate
PubChem CID91594704
Molecular FormulaC19H15BrF2N2O5
Molecular Weight469.24 g/mol
Exact Mass468.01
IUPAC Namemethyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate
SMILESCOC(=O)Nc1ccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)o1
InChIInChI=1S/C19H15BrF2N2O5/c1-10-7-14(28-9-11-3-4-12(21)8-13(11)22)17(20)18(25)24(10)16-6-5-15(29-16)23-19(26)27-2/h3-8H,9H2,1-2H3,(H,23,26)
InChIKeyHPCYXTQYTKQUOG-UHFFFAOYSA-N
XLogP4.54
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate?
The IUPAC name of methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate (CID 91594704) is methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate is COC(=O)Nc1ccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)o1.
What is the InChIKey of methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate?
The InChIKey is HPCYXTQYTKQUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF2N2O5/c1-10-7-14(28-9-11-3-4-12(21)8-13(11)22)17(20)18(25)24(10)16-6-5-15(29-16)23-19(26)27-2/h3-8H,9H2,1-2H3,(H,23,26).
What are the key properties of methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate?
methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate has a molecular weight of 469.24 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate is sourced from PubChem (CID 91594704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).