3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide

C13H10Cl2INOS — CID 106037004

IUPAC3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
SMILESO=C(NCCc1ccc(Cl)s1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H10Cl2INOS/c14-10-7-8(1-3-11(10)16)13(18)17-6-5-9-2-4-12(15)19-9/h1-4,7H,5-6H2,(H,17,18)
InChIKeyNSKICVZVBIRALU-UHFFFAOYSA-N
MW426.11 g/mol
LogP4.63
Rot. Bonds4

About 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide

3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide (PubChem CID 106037004) has the molecular formula C13H10Cl2INOS and a molecular weight of 426.11 g/mol. Its IUPAC name is 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
PubChem CID106037004
Molecular FormulaC13H10Cl2INOS
Molecular Weight426.11 g/mol
Exact Mass424.89
IUPAC Name3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
SMILESO=C(NCCc1ccc(Cl)s1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H10Cl2INOS/c14-10-7-8(1-3-11(10)16)13(18)17-6-5-9-2-4-12(15)19-9/h1-4,7H,5-6H2,(H,17,18)
InChIKeyNSKICVZVBIRALU-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.63
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

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
CID 103738158
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
CID 103222067
N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434669
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 51091819
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 113236231
3-chloro-4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103736148

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide (CID 106037004) is 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide is O=C(NCCc1ccc(Cl)s1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide?
The InChIKey is NSKICVZVBIRALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2INOS/c14-10-7-8(1-3-11(10)16)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 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide?
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide has a molecular weight of 426.11 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide is sourced from PubChem (CID 106037004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).