N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide

C12H8BrClINOS — CID 114258897

IUPACN-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cc(I)ccc2Br)c1Cl
InChIInChI=1S/C12H8BrClINOS/c1-6-5-18-11(10(6)14)12(17)16-9-4-7(15)2-3-8(9)13/h2-5H,1H3,(H,16,17)
InChIKeyKNLUIFHIECTBAM-UHFFFAOYSA-N
MW456.53 g/mol
LogP5.33
Rot. Bonds2

About N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide

N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 114258897) has the molecular formula C12H8BrClINOS and a molecular weight of 456.53 g/mol. Its IUPAC name is N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID114258897
Molecular FormulaC12H8BrClINOS
Molecular Weight456.53 g/mol
Exact Mass454.82
IUPAC NameN-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cc(I)ccc2Br)c1Cl
InChIInChI=1S/C12H8BrClINOS/c1-6-5-18-11(10(6)14)12(17)16-9-4-7(15)2-3-8(9)13/h2-5H,1H3,(H,16,17)
InChIKeyKNLUIFHIECTBAM-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 55.33
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-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
CID 103401913
3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 103405078
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103526991
3-chloro-4-[(3-chloro-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 103400150
3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103577794
3-chloro-4-methyl-N-(2-sulfamoylphenyl)thiophene-2-carboxamide
CID 103405087
3-chloro-N-(4-chloro-2-pyridinyl)-4-methylthiophene-2-carboxamide
CID 103407346
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 107808410
N-(2-bromo-5-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113249343
3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 103401716
3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 103402001
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
CID 103400124

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide (CID 114258897) is N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2cc(I)ccc2Br)c1Cl.
What is the InChIKey of N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is KNLUIFHIECTBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClINOS/c1-6-5-18-11(10(6)14)12(17)16-9-4-7(15)2-3-8(9)13/h2-5H,1H3,(H,16,17).
What are the key properties of N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 114258897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).