N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H11Cl2NOS — CID 24592552

IUPACN-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C15H11Cl2NOS/c16-10-5-6-12(11(17)8-10)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-6,8,14H,7H2,(H,18,19)
InChIKeyIQHRJDVBGJLTQX-UHFFFAOYSA-N
MW324.23 g/mol
LogP4.65
Rot. Bonds2

About N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 24592552) has the molecular formula C15H11Cl2NOS and a molecular weight of 324.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID24592552
Molecular FormulaC15H11Cl2NOS
Molecular Weight324.23 g/mol
Exact Mass322.99
IUPAC NameN-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C15H11Cl2NOS/c16-10-5-6-12(11(17)8-10)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-6,8,14H,7H2,(H,18,19)
InChIKeyIQHRJDVBGJLTQX-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310799
N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79207464
(2R)-N-(2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51489865
N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432
N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931047
(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 34188852
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538
N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 113228991
N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103909801
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18136802
N-[4-(2-methylpropanoylamino)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313014

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 24592552) is N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1Cc2ccccc2S1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is IQHRJDVBGJLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NOS/c16-10-5-6-12(11(17)8-10)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-6,8,14H,7H2,(H,18,19).
What are the key properties of N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 324.23 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24592552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).