2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide

C14H12Br2N2O2 — CID 114371185

IUPAC2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
SMILESCCOc1ncccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2N2O2/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)
InChIKeyGUNJNUVBNHTDPB-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.26
Rot. Bonds4

About 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide

2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide (PubChem CID 114371185) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
PubChem CID114371185
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
SMILESCCOc1ncccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2N2O2/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)
InChIKeyGUNJNUVBNHTDPB-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958257
2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide
CID 43706604
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
3-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958850
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
N-(2-ethoxy-3-pyridinyl)-5-hydroxypyridine-3-carboxamide
CID 63859607
N-(4-bromo-2-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 82695069
3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide
CID 47310443
N-(2-ethoxy-3-pyridinyl)thiophene-3-carboxamide
CID 34879256
5-bromo-2-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103715623

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide (CID 114371185) is 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide is CCOc1ncccc1NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide?
The InChIKey is GUNJNUVBNHTDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/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 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide?
2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide has a molecular weight of 400.07 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 114371185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).