4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide

C19H15BrN2O2 — CID 1239651

IUPAC4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C19H15BrN2O2/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(23)22-16-4-3-11-21-12-16/h1-12H,13H2,(H,22,23)
InChIKeyPSVOOKIMKLMWIJ-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.68
Rot. Bonds5

About 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide

4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide (PubChem CID 1239651) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide
PubChem CID1239651
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C19H15BrN2O2/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(23)22-16-4-3-11-21-12-16/h1-12H,13H2,(H,22,23)
InChIKeyPSVOOKIMKLMWIJ-UHFFFAOYSA-N
XLogP4.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide (CID 1239651) is 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is PSVOOKIMKLMWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(23)22-16-4-3-11-21-12-16/h1-12H,13H2,(H,22,23).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide?
4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 383.25 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1239651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).