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

C21H15BrF4N2O4 — CID 22050030

IUPAC2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(OCC(N)=O)cc1F
InChIInChI=1S/C21H15BrF4N2O4/c1-10-4-17(32-8-11-2-3-12(23)5-14(11)24)19(22)21(30)28(10)20-15(25)6-13(7-16(20)26)31-9-18(27)29/h2-7H,8-9H2,1H3,(H2,27,29)
InChIKeyLOAZSAQHNGGVGI-UHFFFAOYSA-N
MW515.26 g/mol
LogP3.91
Rot. Bonds7

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

2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide (PubChem CID 22050030) has the molecular formula C21H15BrF4N2O4 and a molecular weight of 515.26 g/mol. Its IUPAC name is 2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide
PubChem CID22050030
Molecular FormulaC21H15BrF4N2O4
Molecular Weight515.26 g/mol
Exact Mass514.02
IUPAC Name2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(OCC(N)=O)cc1F
InChIInChI=1S/C21H15BrF4N2O4/c1-10-4-17(32-8-11-2-3-12(23)5-14(11)24)19(22)21(30)28(10)20-15(25)6-13(7-16(20)26)31-9-18(27)29/h2-7H,8-9H2,1H3,(H2,27,29)
InChIKeyLOAZSAQHNGGVGI-UHFFFAOYSA-N
XLogP3.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{2-[(4-methoxyphenyl)amino]-2-oxoethoxy}-N-(4-methylphenyl)acetamide
CID 4300818
3-Bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22049990
3-Bromo-1-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050381
N-(4-methoxyphenyl)-2-(4-methylphenoxy)acetamide
CID 681892
3-methyl-N-(4-phenylmethoxyphenyl)but-2-enamide
CID 731806
N-[4-(benzyloxy)phenyl]-2-methoxyacetamide
CID 885672
Benzyl [4-(2-amino-2-oxoethoxy)phenyl]carbamate
CID 895286
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2348304
N-(4-ethoxyphenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
CID 6622315
2-bromo-N-[3-[(E)-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 90682192
N-(2-fluorophenyl)-2-(4-methylphenoxy)acetamide
CID 795440
2-(4-acetamidophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4877687

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide?
The IUPAC name of 2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide (CID 22050030) is 2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide.
What is the SMILES notation for 2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide?
The canonical SMILES for 2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(OCC(N)=O)cc1F.
What is the InChIKey of 2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide?
The InChIKey is LOAZSAQHNGGVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrF4N2O4/c1-10-4-17(32-8-11-2-3-12(23)5-14(11)24)19(22)21(30)28(10)20-15(25)6-13(7-16(20)26)31-9-18(27)29/h2-7H,8-9H2,1H3,(H2,27,29).
What are the key properties of 2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide?
2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide has a molecular weight of 515.26 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide is sourced from PubChem (CID 22050030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).