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

C18H13BrF2N2O4 — CID 22049901

IUPAC5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(N)=O)o1
InChIInChI=1S/C18H13BrF2N2O4/c1-9-6-14(26-8-10-2-3-11(20)7-12(10)21)16(19)18(25)23(9)15-5-4-13(27-15)17(22)24/h2-7H,8H2,1H3,(H2,22,24)
InChIKeyRSNPZHIWCLHFHM-UHFFFAOYSA-N
MW439.21 g/mol
LogP3.46
Rot. Bonds5

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

5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide (PubChem CID 22049901) has the molecular formula C18H13BrF2N2O4 and a molecular weight of 439.21 g/mol. Its IUPAC name is 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide
PubChem CID22049901
Molecular FormulaC18H13BrF2N2O4
Molecular Weight439.21 g/mol
Exact Mass438.00
IUPAC Name5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(N)=O)o1
InChIInChI=1S/C18H13BrF2N2O4/c1-9-6-14(26-8-10-2-3-11(20)7-12(10)21)16(19)18(25)23(9)15-5-4-13(27-15)17(22)24/h2-7H,8H2,1H3,(H2,22,24)
InChIKeyRSNPZHIWCLHFHM-UHFFFAOYSA-N
XLogP3.46
TPSA87.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide?
The IUPAC name of 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide (CID 22049901) is 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(N)=O)o1.
What is the InChIKey of 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide?
The InChIKey is RSNPZHIWCLHFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF2N2O4/c1-9-6-14(26-8-10-2-3-11(20)7-12(10)21)16(19)18(25)23(9)15-5-4-13(27-15)17(22)24/h2-7H,8H2,1H3,(H2,22,24).
What are the key properties of 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide?
5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide has a molecular weight of 439.21 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 22049901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).