3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide

C16H15BrINO3 — CID 3348893

IUPAC3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ccc(I)cc2)cc1OC
InChIInChI=1S/C16H15BrINO3/c1-3-22-15-13(17)8-10(9-14(15)21-2)16(20)19-12-6-4-11(18)5-7-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyHBVSWVIUCXETGC-UHFFFAOYSA-N
MW476.11 g/mol
LogP4.71
Rot. Bonds5

About 3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide

3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide (PubChem CID 3348893) has the molecular formula C16H15BrINO3 and a molecular weight of 476.11 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
PubChem CID3348893
Molecular FormulaC16H15BrINO3
Molecular Weight476.11 g/mol
Exact Mass474.93
IUPAC Name3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ccc(I)cc2)cc1OC
InChIInChI=1S/C16H15BrINO3/c1-3-22-15-13(17)8-10(9-14(15)21-2)16(20)19-12-6-4-11(18)5-7-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyHBVSWVIUCXETGC-UHFFFAOYSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.11
LogP ≤ 54.71
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-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55834113
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700666
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
3-bromo-4-ethoxy-5-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4800118
3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 5178991
3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 35027407

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide (CID 3348893) is 3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)Nc2ccc(I)cc2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide?
The InChIKey is HBVSWVIUCXETGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrINO3/c1-3-22-15-13(17)8-10(9-14(15)21-2)16(20)19-12-6-4-11(18)5-7-12/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide?
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide has a molecular weight of 476.11 g/mol, XLogP of 4.71, 5 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-(4-iodophenyl)-5-methoxybenzamide is sourced from PubChem (CID 3348893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).