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

C13H11ClINOS — CID 47183189

IUPACN-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(I)cc2Cl)sc1C
InChIInChI=1S/C13H11ClINOS/c1-7-5-12(18-8(7)2)13(17)16-11-4-3-9(15)6-10(11)14/h3-6H,1-2H3,(H,16,17)
InChIKeyTZAWQWFKQXHEDR-UHFFFAOYSA-N
MW391.66 g/mol
LogP4.88
Rot. Bonds2

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

N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 47183189) has the molecular formula C13H11ClINOS and a molecular weight of 391.66 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID47183189
Molecular FormulaC13H11ClINOS
Molecular Weight391.66 g/mol
Exact Mass390.93
IUPAC NameN-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(I)cc2Cl)sc1C
InChIInChI=1S/C13H11ClINOS/c1-7-5-12(18-8(7)2)13(17)16-11-4-3-9(15)6-10(11)14/h3-6H,1-2H3,(H,16,17)
InChIKeyTZAWQWFKQXHEDR-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-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 103766831
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31504674
N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide (CID 47183189) is N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(I)cc2Cl)sc1C.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is TZAWQWFKQXHEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINOS/c1-7-5-12(18-8(7)2)13(17)16-11-4-3-9(15)6-10(11)14/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-chloro-4-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-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 47183189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).