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

C23H21BrF2N2O3 — CID 22050036

IUPAC3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C23H21BrF2N2O3/c1-13-5-6-15(22(29)27(3)4)10-19(13)28-14(2)9-20(21(24)23(28)30)31-12-16-7-8-17(25)11-18(16)26/h5-11H,12H2,1-4H3
InChIKeyKOCGXDXBMZBMRZ-UHFFFAOYSA-N
MW491.33 g/mol
LogP4.78
Rot. Bonds5

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

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide (PubChem CID 22050036) has the molecular formula C23H21BrF2N2O3 and a molecular weight of 491.33 g/mol. Its IUPAC name is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide
PubChem CID22050036
Molecular FormulaC23H21BrF2N2O3
Molecular Weight491.33 g/mol
Exact Mass490.07
IUPAC Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C23H21BrF2N2O3/c1-13-5-6-15(22(29)27(3)4)10-19(13)28-14(2)9-20(21(24)23(28)30)31-12-16-7-8-17(25)11-18(16)26/h5-11H,12H2,1-4H3
InChIKeyKOCGXDXBMZBMRZ-UHFFFAOYSA-N
XLogP4.78
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.33
LogP ≤ 54.78
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,4-trimethylbenzamide?
The IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide (CID 22050036) is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O.
What is the InChIKey of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide?
The InChIKey is KOCGXDXBMZBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrF2N2O3/c1-13-5-6-15(22(29)27(3)4)10-19(13)28-14(2)9-20(21(24)23(28)30)31-12-16-7-8-17(25)11-18(16)26/h5-11H,12H2,1-4H3.
What are the key properties of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide?
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide has a molecular weight of 491.33 g/mol, XLogP of 4.78, 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,4-trimethylbenzamide is sourced from PubChem (CID 22050036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).