3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide

C15H14BrIN2O2 — CID 23095501

IUPAC3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1Br
InChIInChI=1S/C15H14BrIN2O2/c1-3-21-13-6-4-10(8-11(13)16)15(20)19-14-7-5-12(17)9(2)18-14/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyITRLZFGEMILLCL-UHFFFAOYSA-N
MW461.10 g/mol
LogP4.41
Rot. Bonds4

About 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide

3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide (PubChem CID 23095501) has the molecular formula C15H14BrIN2O2 and a molecular weight of 461.10 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
PubChem CID23095501
Molecular FormulaC15H14BrIN2O2
Molecular Weight461.10 g/mol
Exact Mass459.93
IUPAC Name3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1Br
InChIInChI=1S/C15H14BrIN2O2/c1-3-21-13-6-4-10(8-11(13)16)15(20)19-14-7-5-12(17)9(2)18-14/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyITRLZFGEMILLCL-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.10
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-4-ethoxybenzamide
CID 4509618
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide
CID 1296785
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybenzamide
CID 925722
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
CID 1396763
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17151300
N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
CID 5346053
3-ethoxy-N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 1294776
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide (CID 23095501) is 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide?
The InChIKey is ITRLZFGEMILLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrIN2O2/c1-3-21-13-6-4-10(8-11(13)16)15(20)19-14-7-5-12(17)9(2)18-14/h4-8H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide?
3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide has a molecular weight of 461.10 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(5-iodo-6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 23095501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).