3-bromo-5-iodo-N-methoxybenzamide

C8H7BrINO2 — CID 90419041

IUPAC3-bromo-5-iodo-N-methoxybenzamide
SMILESCONC(=O)c1cc(Br)cc(I)c1
InChIInChI=1S/C8H7BrINO2/c1-13-11-8(12)5-2-6(9)4-7(10)3-5/h2-4H,1H3,(H,11,12)
InChIKeyBTBVOWROJUTRTL-UHFFFAOYSA-N
MW355.96 g/mol
LogP2.34
Rot. Bonds2

About 3-bromo-5-iodo-N-methoxybenzamide

3-bromo-5-iodo-N-methoxybenzamide (PubChem CID 90419041) has the molecular formula C8H7BrINO2 and a molecular weight of 355.96 g/mol. Its IUPAC name is 3-bromo-5-iodo-N-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-iodo-N-methoxybenzamide
PubChem CID90419041
Molecular FormulaC8H7BrINO2
Molecular Weight355.96 g/mol
Exact Mass354.87
IUPAC Name3-bromo-5-iodo-N-methoxybenzamide
SMILESCONC(=O)c1cc(Br)cc(I)c1
InChIInChI=1S/C8H7BrINO2/c1-13-11-8(12)5-2-6(9)4-7(10)3-5/h2-4H,1H3,(H,11,12)
InChIKeyBTBVOWROJUTRTL-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.96
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-iodobenzohydrazide
CID 130139017
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
2-bromo-1-(3-bromo-5-iodophenyl)ethanone
CID 118815509
3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
CID 170766371
2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914
3,5-dibromo-N-(2-methylpropoxy)benzamide
CID 103908515
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
4-bromo-N-methoxy-1H-pyrrole-2-carboxamide
CID 103608505
(3-bromo-5-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646516
3,4-dihydroxy-N-methoxybenzamide
CID 103956380
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodo-N-methoxybenzamide?
The IUPAC name of 3-bromo-5-iodo-N-methoxybenzamide (CID 90419041) is 3-bromo-5-iodo-N-methoxybenzamide.
What is the SMILES notation for 3-bromo-5-iodo-N-methoxybenzamide?
The canonical SMILES for 3-bromo-5-iodo-N-methoxybenzamide is CONC(=O)c1cc(Br)cc(I)c1.
What is the InChIKey of 3-bromo-5-iodo-N-methoxybenzamide?
The InChIKey is BTBVOWROJUTRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrINO2/c1-13-11-8(12)5-2-6(9)4-7(10)3-5/h2-4H,1H3,(H,11,12).
What are the key properties of 3-bromo-5-iodo-N-methoxybenzamide?
3-bromo-5-iodo-N-methoxybenzamide has a molecular weight of 355.96 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodo-N-methoxybenzamide is sourced from PubChem (CID 90419041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).