5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide

C15H10F2N2OS — CID 65474617

IUPAC5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc3sccc3c2)c(F)cc1F
InChIInChI=1S/C15H10F2N2OS/c16-11-7-12(17)13(18)6-10(11)15(20)19-9-1-2-14-8(5-9)3-4-21-14/h1-7H,18H2,(H,19,20)
InChIKeyMYJXUXSBVQXGOM-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.01
Rot. Bonds2

About 5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide

5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide (PubChem CID 65474617) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
PubChem CID65474617
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc3sccc3c2)c(F)cc1F
InChIInChI=1S/C15H10F2N2OS/c16-11-7-12(17)13(18)6-10(11)15(20)19-9-1-2-14-8(5-9)3-4-21-14/h1-7H,18H2,(H,19,20)
InChIKeyMYJXUXSBVQXGOM-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.01
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-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
CID 107185377
5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 61090590
2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide
CID 115412638
5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
CID 61092438
3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
CID 62057837
5-amino-2,4-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699288
N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
CID 107031254
N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119
N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
CID 82829825
N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide
CID 106685930
N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
CID 80980410
N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide
CID 63979318

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide (CID 65474617) is 5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide is Nc1cc(C(=O)Nc2ccc3sccc3c2)c(F)cc1F.
What is the InChIKey of 5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide?
The InChIKey is MYJXUXSBVQXGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-11-7-12(17)13(18)6-10(11)15(20)19-9-1-2-14-8(5-9)3-4-21-14/h1-7H,18H2,(H,19,20).
What are the key properties of 5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide?
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide has a molecular weight of 304.32 g/mol, XLogP of 4.01, 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)-2,4-difluorobenzamide is sourced from PubChem (CID 65474617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).