3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide

C15H11BrN2OS — CID 62057837

IUPAC3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
SMILESNc1cc(C(=O)Nc2ccc3sccc3c2)ccc1Br
InChIInChI=1S/C15H11BrN2OS/c16-12-3-1-10(8-13(12)17)15(19)18-11-2-4-14-9(7-11)5-6-20-14/h1-8H,17H2,(H,18,19)
InChIKeyZEPIHKFMLPCOHH-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.50
Rot. Bonds2

About 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide

3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide (PubChem CID 62057837) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide.

Molecular Properties

Compound Name3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
PubChem CID62057837
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC Name3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
SMILESNc1cc(C(=O)Nc2ccc3sccc3c2)ccc1Br
InChIInChI=1S/C15H11BrN2OS/c16-12-3-1-10(8-13(12)17)15(19)18-11-2-4-14-9(7-11)5-6-20-14/h1-8H,17H2,(H,18,19)
InChIKeyZEPIHKFMLPCOHH-UHFFFAOYSA-N
XLogP4.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.50
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

N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
CID 103872126
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033
N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
CID 80980410
N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
CID 107031254
N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
CID 107951910
N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
CID 65450538
N-(1-benzothiophen-5-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763594
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide?
The IUPAC name of 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide (CID 62057837) is 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide.
What is the SMILES notation for 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide?
The canonical SMILES for 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide is Nc1cc(C(=O)Nc2ccc3sccc3c2)ccc1Br.
What is the InChIKey of 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide?
The InChIKey is ZEPIHKFMLPCOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c16-12-3-1-10(8-13(12)17)15(19)18-11-2-4-14-9(7-11)5-6-20-14/h1-8H,17H2,(H,18,19).
What are the key properties of 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide?
3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide has a molecular weight of 347.24 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide is sourced from PubChem (CID 62057837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).