3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide

C12H11BrN2OS — CID 61093192

IUPAC3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2cccs2)ccc1Br
InChIInChI=1S/C12H11BrN2OS/c13-10-4-3-8(6-11(10)14)12(16)15-7-9-2-1-5-17-9/h1-6H,7,14H2,(H,15,16)
InChIKeyAFBXAKMYPZSMHR-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.02
Rot. Bonds3

About 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide

3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 61093192) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
PubChem CID61093192
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2cccs2)ccc1Br
InChIInChI=1S/C12H11BrN2OS/c13-10-4-3-8(6-11(10)14)12(16)15-7-9-2-1-5-17-9/h1-6H,7,14H2,(H,15,16)
InChIKeyAFBXAKMYPZSMHR-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 20776955
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
4-formamido-N-(thiophen-2-ylmethyl)benzamide
CID 168653022
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
3-bromo-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 54793444
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62165965
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide (CID 61093192) is 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide is Nc1cc(C(=O)NCc2cccs2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is AFBXAKMYPZSMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c13-10-4-3-8(6-11(10)14)12(16)15-7-9-2-1-5-17-9/h1-6H,7,14H2,(H,15,16).
What are the key properties of 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide?
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 311.20 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 61093192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).