2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide

C13H10Br2INOS — CID 114139345

IUPAC2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
SMILESO=C(NCCc1ccc(Br)s1)c1cc(I)ccc1Br
InChIInChI=1S/C13H10Br2INOS/c14-11-3-1-8(16)7-10(11)13(18)17-6-5-9-2-4-12(15)19-9/h1-4,7H,5-6H2,(H,17,18)
InChIKeyTVDIMQMDLAHQPE-UHFFFAOYSA-N
MW515.01 g/mol
LogP4.85
Rot. Bonds4

About 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide

2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide (PubChem CID 114139345) has the molecular formula C13H10Br2INOS and a molecular weight of 515.01 g/mol. Its IUPAC name is 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
PubChem CID114139345
Molecular FormulaC13H10Br2INOS
Molecular Weight515.01 g/mol
Exact Mass512.79
IUPAC Name2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
SMILESO=C(NCCc1ccc(Br)s1)c1cc(I)ccc1Br
InChIInChI=1S/C13H10Br2INOS/c14-11-3-1-8(16)7-10(11)13(18)17-6-5-9-2-4-12(15)19-9/h1-4,7H,5-6H2,(H,17,18)
InChIKeyTVDIMQMDLAHQPE-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.01
LogP ≤ 54.85
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

2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
CID 103773107
2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 113362373
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
2,4-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 106033536
N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940156
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 106047985
2-bromo-N-but-3-ynyl-5-iodobenzamide
CID 103989976
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295
2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103995758
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
CID 106157956
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitrobenzamide
CID 104877746
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide?
The IUPAC name of 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide (CID 114139345) is 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide is O=C(NCCc1ccc(Br)s1)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide?
The InChIKey is TVDIMQMDLAHQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2INOS/c14-11-3-1-8(16)7-10(11)13(18)17-6-5-9-2-4-12(15)19-9/h1-4,7H,5-6H2,(H,17,18).
What are the key properties of 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide?
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide has a molecular weight of 515.01 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide is sourced from PubChem (CID 114139345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).