2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide

C13H13BrN2OS — CID 54900646

IUPAC2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccccc1CNCc1ccc(Br)s1
InChIInChI=1S/C13H13BrN2OS/c14-12-6-5-10(18-12)8-16-7-9-3-1-2-4-11(9)13(15)17/h1-6,16H,7-8H2,(H2,15,17)
InChIKeyWFOKZARXKKPRDP-UHFFFAOYSA-N
MW325.23 g/mol
LogP2.90
Rot. Bonds5

About 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide

2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide (PubChem CID 54900646) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide
PubChem CID54900646
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccccc1CNCc1ccc(Br)s1
InChIInChI=1S/C13H13BrN2OS/c14-12-6-5-10(18-12)8-16-7-9-3-1-2-4-11(9)13(15)17/h1-6,16H,7-8H2,(H2,15,17)
InChIKeyWFOKZARXKKPRDP-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2-[(benzylamino)methyl]benzamide
CID 22341819
2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
CID 104546961
2-[[(4-ethylphenyl)methylamino]methyl]benzamide
CID 106899663
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
CID 93434478
N'-hydroxy-2-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenecarboximidamide
CID 77028431
2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide
CID 77030355
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-[(6-hydroxyhexylamino)methyl]benzamide
CID 114009117
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
CID 60744211
N-[(5-bromothiophen-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167302

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide?
The IUPAC name of 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide (CID 54900646) is 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide?
The canonical SMILES for 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide is NC(=O)c1ccccc1CNCc1ccc(Br)s1.
What is the InChIKey of 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide?
The InChIKey is WFOKZARXKKPRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c14-12-6-5-10(18-12)8-16-7-9-3-1-2-4-11(9)13(15)17/h1-6,16H,7-8H2,(H2,15,17).
What are the key properties of 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide?
2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide has a molecular weight of 325.23 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 54900646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).