5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide

C14H12BrClN2O2 — CID 34958257

IUPAC5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
SMILESCCOc1ncccc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-2-20-14-12(4-3-7-17-14)18-13(19)10-8-9(15)5-6-11(10)16/h3-8H,2H2,1H3,(H,18,19)
InChIKeyNOTZNWROUHTSQB-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.15
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide

5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide (PubChem CID 34958257) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
PubChem CID34958257
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
SMILESCCOc1ncccc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-2-20-14-12(4-3-7-17-14)18-13(19)10-8-9(15)5-6-11(10)16/h3-8H,2H2,1H3,(H,18,19)
InChIKeyNOTZNWROUHTSQB-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
CID 114371185
3-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958850
2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide
CID 43706604
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
5-bromo-2-chloro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 25332846
5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30887095
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 34877130
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide (CID 34958257) is 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide is CCOc1ncccc1NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide?
The InChIKey is NOTZNWROUHTSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-2-20-14-12(4-3-7-17-14)18-13(19)10-8-9(15)5-6-11(10)16/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide?
5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide has a molecular weight of 355.62 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 34958257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).