N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide

C11H6BrIN2O3S — CID 82864413

IUPACN-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1csc(I)c1
InChIInChI=1S/C11H6BrIN2O3S/c12-8-4-7(1-2-9(8)15(17)18)14-11(16)6-3-10(13)19-5-6/h1-5H,(H,14,16)
InChIKeyLMXFQKBNFPDYLG-UHFFFAOYSA-N
MW453.06 g/mol
LogP4.28
Rot. Bonds3

About N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide

N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide (PubChem CID 82864413) has the molecular formula C11H6BrIN2O3S and a molecular weight of 453.06 g/mol. Its IUPAC name is N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide
PubChem CID82864413
Molecular FormulaC11H6BrIN2O3S
Molecular Weight453.06 g/mol
Exact Mass451.83
IUPAC NameN-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1csc(I)c1
InChIInChI=1S/C11H6BrIN2O3S/c12-8-4-7(1-2-9(8)15(17)18)14-11(16)6-3-10(13)19-5-6/h1-5H,(H,14,16)
InChIKeyLMXFQKBNFPDYLG-UHFFFAOYSA-N
XLogP4.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.06
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 78948733
3-amino-N-(3-bromo-4-nitrophenyl)benzamide
CID 82864982
N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide
CID 81259590
N-(4,5-dimethyl-2-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 79692955
N-(2,4-dimethyl-5-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 115618087
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
CID 103931944
N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide
CID 82864638
N-(3-bromo-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 82864244
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3458872
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
3-bromo-N-[3-[(3-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3611038
3-bromo-N-(3-bromo-4-nitrophenyl)-2-methylbenzamide
CID 82865786

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide (CID 82864413) is N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1csc(I)c1.
What is the InChIKey of N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is LMXFQKBNFPDYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrIN2O3S/c12-8-4-7(1-2-9(8)15(17)18)14-11(16)6-3-10(13)19-5-6/h1-5H,(H,14,16).
What are the key properties of N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide?
N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 453.06 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 82864413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).