3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide

C14H14Br2N2OS — CID 102833214

IUPAC3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCc2cc(Br)c(Br)s2)c1
InChIInChI=1S/C14H14Br2N2OS/c1-18(2)14(19)9-4-3-5-10(6-9)17-8-11-7-12(15)13(16)20-11/h3-7,17H,8H2,1-2H3
InChIKeyZQPAICFHQMIRAV-UHFFFAOYSA-N
MW418.15 g/mol
LogP4.59
Rot. Bonds4

About 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide

3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 102833214) has the molecular formula C14H14Br2N2OS and a molecular weight of 418.15 g/mol. Its IUPAC name is 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID102833214
Molecular FormulaC14H14Br2N2OS
Molecular Weight418.15 g/mol
Exact Mass415.92
IUPAC Name3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCc2cc(Br)c(Br)s2)c1
InChIInChI=1S/C14H14Br2N2OS/c1-18(2)14(19)9-4-3-5-10(6-9)17-8-11-7-12(15)13(16)20-11/h3-7,17H,8H2,1-2H3
InChIKeyZQPAICFHQMIRAV-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.15
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
3-[(4,5-dibromothiophen-2-yl)methylamino]-N-propylbenzamide
CID 102831885
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]benzamide
CID 102830891
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79914678
N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756583
N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethynylaniline
CID 102829922
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43725385
3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43725482
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 107685516

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide (CID 102833214) is 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NCc2cc(Br)c(Br)s2)c1.
What is the InChIKey of 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is ZQPAICFHQMIRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2OS/c1-18(2)14(19)9-4-3-5-10(6-9)17-8-11-7-12(15)13(16)20-11/h3-7,17H,8H2,1-2H3.
What are the key properties of 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 418.15 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 102833214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).