5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide

C16H16BrClN2O2 — CID 60528009

IUPAC5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H16BrClN2O2/c1-22-9-8-20(11-13-4-2-3-7-19-13)16(21)14-10-12(17)5-6-15(14)18/h2-7,10H,8-9,11H2,1H3
InChIKeyWFMXLJGKYJKSDU-UHFFFAOYSA-N
MW383.67 g/mol
LogP3.79
Rot. Bonds6

About 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide

5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 60528009) has the molecular formula C16H16BrClN2O2 and a molecular weight of 383.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID60528009
Molecular FormulaC16H16BrClN2O2
Molecular Weight383.67 g/mol
Exact Mass382.01
IUPAC Name5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H16BrClN2O2/c1-22-9-8-20(11-13-4-2-3-7-19-13)16(21)14-10-12(17)5-6-15(14)18/h2-7,10H,8-9,11H2,1H3
InChIKeyWFMXLJGKYJKSDU-UHFFFAOYSA-N
XLogP3.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
4-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 61052509
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 60955229
5-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084721
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717
6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052322
3-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61244876
2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55981552
5-iodo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
CID 78949460
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 55980400

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 60528009) is 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide is COCCN(Cc1ccccn1)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is WFMXLJGKYJKSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O2/c1-22-9-8-20(11-13-4-2-3-7-19-13)16(21)14-10-12(17)5-6-15(14)18/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide?
5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 383.67 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 60528009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).