N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide

C11H6BrClINOS — CID 78948478

IUPACN-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1csc(I)c1
InChIInChI=1S/C11H6BrClINOS/c12-7-1-2-8(13)9(4-7)15-11(16)6-3-10(14)17-5-6/h1-5H,(H,15,16)
InChIKeyAAVOZDWDYMWIOH-UHFFFAOYSA-N
MW442.50 g/mol
LogP5.02
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide

N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide (PubChem CID 78948478) has the molecular formula C11H6BrClINOS and a molecular weight of 442.50 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
PubChem CID78948478
Molecular FormulaC11H6BrClINOS
Molecular Weight442.50 g/mol
Exact Mass440.81
IUPAC NameN-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1csc(I)c1
InChIInChI=1S/C11H6BrClINOS/c12-7-1-2-8(13)9(4-7)15-11(16)6-3-10(14)17-5-6/h1-5H,(H,15,16)
InChIKeyAAVOZDWDYMWIOH-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 55.02
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-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
CID 78948597
N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide
CID 81259590
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
CID 107028850
2-chloro-6-[(5-iodothiophene-3-carbonyl)amino]benzoic acid
CID 79685074
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 55133221
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide (CID 78948478) is N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide is O=C(Nc1cc(Br)ccc1Cl)c1csc(I)c1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is AAVOZDWDYMWIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClINOS/c12-7-1-2-8(13)9(4-7)15-11(16)6-3-10(14)17-5-6/h1-5H,(H,15,16).
What are the key properties of N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide?
N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).