N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide

C13H11ClINOS — CID 103766831

IUPACN-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2I)sc1C
InChIInChI=1S/C13H11ClINOS/c1-7-5-12(18-8(7)2)13(17)16-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H,16,17)
InChIKeyZOCHJWQAYOLQRE-UHFFFAOYSA-N
MW391.66 g/mol
LogP4.88
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide

N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 103766831) has the molecular formula C13H11ClINOS and a molecular weight of 391.66 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID103766831
Molecular FormulaC13H11ClINOS
Molecular Weight391.66 g/mol
Exact Mass390.93
IUPAC NameN-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2I)sc1C
InChIInChI=1S/C13H11ClINOS/c1-7-5-12(18-8(7)2)13(17)16-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H,16,17)
InChIKeyZOCHJWQAYOLQRE-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.66
LogP ≤ 54.88
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-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 47183189
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518
N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31504674
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414411
N-(4-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide (CID 103766831) is N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2I)sc1C.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is ZOCHJWQAYOLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINOS/c1-7-5-12(18-8(7)2)13(17)16-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 391.66 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103766831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).