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

C22H19BrF2N2O3 — CID 22050254

IUPAC4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c(C)c1
InChIInChI=1S/C22H19BrF2N2O3/c1-12-8-14(21(28)26-3)5-7-18(12)27-13(2)9-19(20(23)22(27)29)30-11-15-4-6-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
InChIKeyGKBCRGSJKWXMSW-UHFFFAOYSA-N
MW477.31 g/mol
LogP4.43
Rot. Bonds5

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

4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide (PubChem CID 22050254) has the molecular formula C22H19BrF2N2O3 and a molecular weight of 477.31 g/mol. Its IUPAC name is 4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide
PubChem CID22050254
Molecular FormulaC22H19BrF2N2O3
Molecular Weight477.31 g/mol
Exact Mass476.05
IUPAC Name4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c(C)c1
InChIInChI=1S/C22H19BrF2N2O3/c1-12-8-14(21(28)26-3)5-7-18(12)27-13(2)9-19(20(23)22(27)29)30-11-15-4-6-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
InChIKeyGKBCRGSJKWXMSW-UHFFFAOYSA-N
XLogP4.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide?
The IUPAC name of 4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide (CID 22050254) is 4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide is CNC(=O)c1ccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c(C)c1.
What is the InChIKey of 4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide?
The InChIKey is GKBCRGSJKWXMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O3/c1-12-8-14(21(28)26-3)5-7-18(12)27-13(2)9-19(20(23)22(27)29)30-11-15-4-6-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28).
What are the key properties of 4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide?
4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide has a molecular weight of 477.31 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 22050254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).