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

C19H13BrF2N2O2 — CID 67107224

IUPAC5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(Br)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C19H13BrF2N2O2/c20-13-4-6-18(26-11-12-3-5-16(21)17(22)8-12)15(9-13)19(25)24-14-2-1-7-23-10-14/h1-10H,11H2,(H,24,25)
InChIKeyAEDRMOJVXSDLTA-UHFFFAOYSA-N
MW419.23 g/mol
LogP4.95
Rot. Bonds5

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

5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 67107224) has the molecular formula C19H13BrF2N2O2 and a molecular weight of 419.23 g/mol. Its IUPAC name is 5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID67107224
Molecular FormulaC19H13BrF2N2O2
Molecular Weight419.23 g/mol
Exact Mass418.01
IUPAC Name5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(Br)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C19H13BrF2N2O2/c20-13-4-6-18(26-11-12-3-5-16(21)17(22)8-12)15(9-13)19(25)24-14-2-1-7-23-10-14/h1-10H,11H2,(H,24,25)
InChIKeyAEDRMOJVXSDLTA-UHFFFAOYSA-N
XLogP4.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 67107224) is 5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cc(Br)ccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is AEDRMOJVXSDLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF2N2O2/c20-13-4-6-18(26-11-12-3-5-16(21)17(22)8-12)15(9-13)19(25)24-14-2-1-7-23-10-14/h1-10H,11H2,(H,24,25).
What are the key properties of 5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide?
5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 419.23 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3,4-difluorophenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 67107224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).