5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide

C15H10Cl2N2OS — CID 107185377

IUPAC5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-12-7-9(18)6-11(14(12)17)15(20)19-10-1-2-13-8(5-10)3-4-21-13/h1-7H,18H2,(H,19,20)
InChIKeyZJSVMXXFPXXBEI-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.04
Rot. Bonds2

About 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide

5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide (PubChem CID 107185377) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide.

Molecular Properties

Compound Name5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
PubChem CID107185377
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-12-7-9(18)6-11(14(12)17)15(20)19-10-1-2-13-8(5-10)3-4-21-13/h1-7H,18H2,(H,19,20)
InChIKeyZJSVMXXFPXXBEI-UHFFFAOYSA-N
XLogP5.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.04
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-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide
CID 107196129
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617
N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide
CID 106685930
N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119
5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 107185778
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354
5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107185676
N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
CID 80980410
2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide
CID 115412638
3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
CID 62057837
N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
CID 82829825
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide?
The IUPAC name of 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide (CID 107185377) is 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide.
What is the SMILES notation for 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide?
The canonical SMILES for 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide is Nc1cc(Cl)c(Cl)c(C(=O)Nc2ccc3sccc3c2)c1.
What is the InChIKey of 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide?
The InChIKey is ZJSVMXXFPXXBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-12-7-9(18)6-11(14(12)17)15(20)19-10-1-2-13-8(5-10)3-4-21-13/h1-7H,18H2,(H,19,20).
What are the key properties of 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide?
5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide has a molecular weight of 337.23 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide is sourced from PubChem (CID 107185377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).