3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide

C22H19BrF2N2O3 — CID 22049953

IUPAC3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C22H19BrF2N2O3/c1-13-9-19(30-12-15-7-8-16(24)11-18(15)25)20(23)22(29)27(13)17-6-4-5-14(10-17)21(28)26(2)3/h4-11H,12H2,1-3H3
InChIKeyVOSUOERWSOSNOR-UHFFFAOYSA-N
MW477.31 g/mol
LogP4.47
Rot. Bonds5

About 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 22049953) has the molecular formula C22H19BrF2N2O3 and a molecular weight of 477.31 g/mol. Its IUPAC name is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide
PubChem CID22049953
Molecular FormulaC22H19BrF2N2O3
Molecular Weight477.31 g/mol
Exact Mass476.05
IUPAC Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C22H19BrF2N2O3/c1-13-9-19(30-12-15-7-8-16(24)11-18(15)25)20(23)22(29)27(13)17-6-4-5-14(10-17)21(28)26(2)3/h4-11H,12H2,1-3H3
InChIKeyVOSUOERWSOSNOR-UHFFFAOYSA-N
XLogP4.47
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide (CID 22049953) is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is VOSUOERWSOSNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O3/c1-13-9-19(30-12-15-7-8-16(24)11-18(15)25)20(23)22(29)27(13)17-6-4-5-14(10-17)21(28)26(2)3/h4-11H,12H2,1-3H3.
What are the key properties of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide?
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 477.31 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 22049953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).