2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide

C12H10Br2N2OS — CID 79723749

IUPAC2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
SMILESNc1cc(Br)ccc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C12H10Br2N2OS/c13-7-1-2-10(11(15)4-7)12(17)16-5-9-3-8(14)6-18-9/h1-4,6H,5,15H2,(H,16,17)
InChIKeyXPEHPLVBOYSVHO-UHFFFAOYSA-N
MW390.10 g/mol
LogP3.79
Rot. Bonds3

About 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide

2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide (PubChem CID 79723749) has the molecular formula C12H10Br2N2OS and a molecular weight of 390.10 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
PubChem CID79723749
Molecular FormulaC12H10Br2N2OS
Molecular Weight390.10 g/mol
Exact Mass387.89
IUPAC Name2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
SMILESNc1cc(Br)ccc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C12H10Br2N2OS/c13-7-1-2-10(11(15)4-7)12(17)16-5-9-3-8(14)6-18-9/h1-4,6H,5,15H2,(H,16,17)
InChIKeyXPEHPLVBOYSVHO-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 53.79
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

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829795
2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79722571
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
CID 103777410
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide (CID 79723749) is 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide is Nc1cc(Br)ccc1C(=O)NCc1cc(Br)cs1.
What is the InChIKey of 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide?
The InChIKey is XPEHPLVBOYSVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2OS/c13-7-1-2-10(11(15)4-7)12(17)16-5-9-3-8(14)6-18-9/h1-4,6H,5,15H2,(H,16,17).
What are the key properties of 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide?
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide has a molecular weight of 390.10 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 79723749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).