5-bromo-N-(4-iodophenyl)-2-propoxybenzamide

C16H15BrINO2 — CID 17351391

IUPAC5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H15BrINO2/c1-2-9-21-15-8-3-11(17)10-14(15)16(20)19-13-6-4-12(18)5-7-13/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyBEOZSIYXWFFBLV-UHFFFAOYSA-N
MW460.11 g/mol
LogP5.09
Rot. Bonds5

About 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide

5-bromo-N-(4-iodophenyl)-2-propoxybenzamide (PubChem CID 17351391) has the molecular formula C16H15BrINO2 and a molecular weight of 460.11 g/mol. Its IUPAC name is 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
PubChem CID17351391
Molecular FormulaC16H15BrINO2
Molecular Weight460.11 g/mol
Exact Mass458.93
IUPAC Name5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H15BrINO2/c1-2-9-21-15-8-3-11(17)10-14(15)16(20)19-13-6-4-12(18)5-7-13/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyBEOZSIYXWFFBLV-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.11
LogP ≤ 55.09
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

5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
CID 17351533
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
CID 54788444
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26159081
5-bromo-2-butoxy-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17235078
5-bromo-2-propoxy-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 17352134
5-bromo-2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642686
5-bromo-N-[(4-methylphenyl)carbamothioyl]-2-propoxybenzamide
CID 17351997
5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 17351395

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide (CID 17351391) is 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide?
The InChIKey is BEOZSIYXWFFBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrINO2/c1-2-9-21-15-8-3-11(17)10-14(15)16(20)19-13-6-4-12(18)5-7-13/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide?
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide has a molecular weight of 460.11 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-iodophenyl)-2-propoxybenzamide is sourced from PubChem (CID 17351391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).