N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide

C15H9BrINOS — CID 81259590

IUPACN-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1)c1csc(I)c1
InChIInChI=1S/C15H9BrINOS/c16-12-3-1-10-6-13(4-2-9(10)5-12)18-15(19)11-7-14(17)20-8-11/h1-8H,(H,18,19)
InChIKeyXWEZIAZPNOSIGR-UHFFFAOYSA-N
MW458.12 g/mol
LogP5.52
Rot. Bonds2

About N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide

N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide (PubChem CID 81259590) has the molecular formula C15H9BrINOS and a molecular weight of 458.12 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide
PubChem CID81259590
Molecular FormulaC15H9BrINOS
Molecular Weight458.12 g/mol
Exact Mass456.86
IUPAC NameN-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1)c1csc(I)c1
InChIInChI=1S/C15H9BrINOS/c16-12-3-1-10-6-13(4-2-9(10)5-12)18-15(19)11-7-14(17)20-8-11/h1-8H,(H,18,19)
InChIKeyXWEZIAZPNOSIGR-UHFFFAOYSA-N
XLogP5.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.12
LogP ≤ 55.52
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-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
CID 78948478
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 82864413
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
CID 78948597
N-(4-carbamothioylphenyl)-5-iodothiophene-3-carboxamide
CID 79693852
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78949254
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide
CID 79691671
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide
CID 116784653
2-bromo-N-(6-bromonaphthalen-2-yl)furan-3-carboxamide
CID 106852301

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide (CID 81259590) is N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide is O=C(Nc1ccc2cc(Br)ccc2c1)c1csc(I)c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is XWEZIAZPNOSIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrINOS/c16-12-3-1-10-6-13(4-2-9(10)5-12)18-15(19)11-7-14(17)20-8-11/h1-8H,(H,18,19).
What are the key properties of N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide?
N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 458.12 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 81259590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).