5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide

C20H17BrN2O3 — CID 67107407

IUPAC5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H17BrN2O3/c1-25-17-7-4-14(5-8-17)13-26-19-9-6-15(21)11-18(19)20(24)23-16-3-2-10-22-12-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyKOGNAKNQFRTYKA-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.68
Rot. Bonds6

About 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide

5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 67107407) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID67107407
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H17BrN2O3/c1-25-17-7-4-14(5-8-17)13-26-19-9-6-15(21)11-18(19)20(24)23-16-3-2-10-22-12-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyKOGNAKNQFRTYKA-UHFFFAOYSA-N
XLogP4.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 67107407) is 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide is COc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is KOGNAKNQFRTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-25-17-7-4-14(5-8-17)13-26-19-9-6-15(21)11-18(19)20(24)23-16-3-2-10-22-12-16/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide?
5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 413.27 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 67107407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).