2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide

C15H13BrINO2 — CID 103989258

IUPAC2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide
SMILESCCOc1cccc(NC(=O)c2cc(I)ccc2Br)c1
InChIInChI=1S/C15H13BrINO2/c1-2-20-12-5-3-4-11(9-12)18-15(19)13-8-10(17)6-7-14(13)16/h3-9H,2H2,1H3,(H,18,19)
InChIKeyNZDBHQAQTBARBD-UHFFFAOYSA-N
MW446.08 g/mol
LogP4.70
Rot. Bonds4

About 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide

2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide (PubChem CID 103989258) has the molecular formula C15H13BrINO2 and a molecular weight of 446.08 g/mol. Its IUPAC name is 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide
PubChem CID103989258
Molecular FormulaC15H13BrINO2
Molecular Weight446.08 g/mol
Exact Mass444.92
IUPAC Name2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide
SMILESCCOc1cccc(NC(=O)c2cc(I)ccc2Br)c1
InChIInChI=1S/C15H13BrINO2/c1-2-20-12-5-3-4-11(9-12)18-15(19)13-8-10(17)6-7-14(13)16/h3-9H,2H2,1H3,(H,18,19)
InChIKeyNZDBHQAQTBARBD-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.08
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100526929
4-bromo-N-(3-ethoxyphenyl)-2-sulfanylbenzamide
CID 107025832
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380453
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
CID 103993823
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
N-(3-ethoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237400
2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
CID 1118900
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
N-(3-ethoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107025835

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide (CID 103989258) is 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide is CCOc1cccc(NC(=O)c2cc(I)ccc2Br)c1.
What is the InChIKey of 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide?
The InChIKey is NZDBHQAQTBARBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrINO2/c1-2-20-12-5-3-4-11(9-12)18-15(19)13-8-10(17)6-7-14(13)16/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide?
2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide has a molecular weight of 446.08 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide is sourced from PubChem (CID 103989258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).