5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide

C15H10BrClN2OS — CID 103477175

IUPAC5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)Nc3cccc(Cl)c3Br)cc2c1
InChIInChI=1S/C15H10BrClN2OS/c16-14-10(17)2-1-3-11(14)19-15(20)13-7-8-6-9(18)4-5-12(8)21-13/h1-7H,18H2,(H,19,20)
InChIKeyLCKKGFMHLSPCNX-UHFFFAOYSA-N
MW381.68 g/mol
LogP5.15
Rot. Bonds2

About 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide

5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 103477175) has the molecular formula C15H10BrClN2OS and a molecular weight of 381.68 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID103477175
Molecular FormulaC15H10BrClN2OS
Molecular Weight381.68 g/mol
Exact Mass379.94
IUPAC Name5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)Nc3cccc(Cl)c3Br)cc2c1
InChIInChI=1S/C15H10BrClN2OS/c16-14-10(17)2-1-3-11(14)19-15(20)13-7-8-6-9(18)4-5-12(8)21-13/h1-7H,18H2,(H,19,20)
InChIKeyLCKKGFMHLSPCNX-UHFFFAOYSA-N
XLogP5.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.68
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide
CID 139568442
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
N-(2-amino-6-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 62085161
5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 61393369
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431
6-amino-N-(2-bromo-3-chlorophenyl)pyridine-2-carboxamide
CID 103481383
2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
5-amino-1-benzothiophene-2-carbonyl chloride
CID 18523489
5-amino-N-(2-bromo-3-chlorophenyl)-1H-indazole-3-carboxamide
CID 103477097
3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477081
5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 61094116

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide (CID 103477175) is 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide is Nc1ccc2sc(C(=O)Nc3cccc(Cl)c3Br)cc2c1.
What is the InChIKey of 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is LCKKGFMHLSPCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2OS/c16-14-10(17)2-1-3-11(14)19-15(20)13-7-8-6-9(18)4-5-12(8)21-13/h1-7H,18H2,(H,19,20).
What are the key properties of 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 381.68 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103477175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).