N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide

C17H12ClFN2O2S — CID 1245212

IUPACN-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc3cccc(F)c3c2Cl)c1
InChIInChI=1S/C17H12ClFN2O2S/c1-9(22)20-10-4-2-5-11(8-10)21-17(23)16-15(18)14-12(19)6-3-7-13(14)24-16/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyRPSHJTKHQMRRFL-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.90
Rot. Bonds3

About N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide

N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 1245212) has the molecular formula C17H12ClFN2O2S and a molecular weight of 362.81 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID1245212
Molecular FormulaC17H12ClFN2O2S
Molecular Weight362.81 g/mol
Exact Mass362.03
IUPAC NameN-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc3cccc(F)c3c2Cl)c1
InChIInChI=1S/C17H12ClFN2O2S/c1-9(22)20-10-4-2-5-11(8-10)21-17(23)16-15(18)14-12(19)6-3-7-13(14)24-16/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyRPSHJTKHQMRRFL-UHFFFAOYSA-N
XLogP4.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-fluoro-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987142
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 2225268
3-amino-4-fluoro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79516844
3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
CID 1124680
3,4-dichloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide
CID 997805
4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55567162
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845819
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55533243

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide (CID 1245212) is N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2sc3cccc(F)c3c2Cl)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is RPSHJTKHQMRRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2S/c1-9(22)20-10-4-2-5-11(8-10)21-17(23)16-15(18)14-12(19)6-3-7-13(14)24-16/h2-8H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide?
N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1245212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).