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

C21H17BrF2N2O3 — CID 11213406

IUPAC2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
InChIInChI=1S/C21H17BrF2N2O3/c22-20-18(29-12-15-4-5-16(23)10-17(15)24)6-7-26(21(20)28)11-14-3-1-2-13(8-14)9-19(25)27/h1-8,10H,9,11-12H2,(H2,25,27)
InChIKeyBBSJTLGASFLZKP-UHFFFAOYSA-N
MW463.28 g/mol
LogP3.54
Rot. Bonds7

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

2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide (PubChem CID 11213406) has the molecular formula C21H17BrF2N2O3 and a molecular weight of 463.28 g/mol. Its IUPAC name is 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
PubChem CID11213406
Molecular FormulaC21H17BrF2N2O3
Molecular Weight463.28 g/mol
Exact Mass462.04
IUPAC Name2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
InChIInChI=1S/C21H17BrF2N2O3/c22-20-18(29-12-15-4-5-16(23)10-17(15)24)6-7-26(21(20)28)11-14-3-1-2-13(8-14)9-19(25)27/h1-8,10H,9,11-12H2,(H2,25,27)
InChIKeyBBSJTLGASFLZKP-UHFFFAOYSA-N
XLogP3.54
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide?
The IUPAC name of 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide (CID 11213406) is 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide?
The canonical SMILES for 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide is NC(=O)Cc1cccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)c1.
What is the InChIKey of 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide?
The InChIKey is BBSJTLGASFLZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF2N2O3/c22-20-18(29-12-15-4-5-16(23)10-17(15)24)6-7-26(21(20)28)11-14-3-1-2-13(8-14)9-19(25)27/h1-8,10H,9,11-12H2,(H2,25,27).
What are the key properties of 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide?
2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide has a molecular weight of 463.28 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]phenyl]acetamide is sourced from PubChem (CID 11213406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).