5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide

C14H12BrIN2O2 — CID 3684602

IUPAC5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(I)cn1
InChIInChI=1S/C14H12BrIN2O2/c1-8-5-9(15)6-11(13(8)20-2)14(19)18-12-4-3-10(16)7-17-12/h3-7H,1-2H3,(H,17,18,19)
InChIKeyKTUVGSQTZNTTFY-UHFFFAOYSA-N
MW447.07 g/mol
LogP4.02
Rot. Bonds3

About 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide

5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide (PubChem CID 3684602) has the molecular formula C14H12BrIN2O2 and a molecular weight of 447.07 g/mol. Its IUPAC name is 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide
PubChem CID3684602
Molecular FormulaC14H12BrIN2O2
Molecular Weight447.07 g/mol
Exact Mass445.91
IUPAC Name5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(I)cn1
InChIInChI=1S/C14H12BrIN2O2/c1-8-5-9(15)6-11(13(8)20-2)14(19)18-12-4-3-10(16)7-17-12/h3-7H,1-2H3,(H,17,18,19)
InChIKeyKTUVGSQTZNTTFY-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.07
LogP ≤ 54.02
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

5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide
CID 114033128
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
CID 28674733
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
CID 107096909
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide?
The IUPAC name of 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide (CID 3684602) is 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide is COc1c(C)cc(Br)cc1C(=O)Nc1ccc(I)cn1.
What is the InChIKey of 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide?
The InChIKey is KTUVGSQTZNTTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIN2O2/c1-8-5-9(15)6-11(13(8)20-2)14(19)18-12-4-3-10(16)7-17-12/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide?
5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide has a molecular weight of 447.07 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 3684602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).