4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide

C13H12BrNOS — CID 59723637

IUPAC4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C13H12BrNOS/c1-15(2)13(16)10-5-3-9(4-6-10)11-7-8-12(14)17-11/h3-8H,1-2H3
InChIKeyQUSZQTKCRWUCTP-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.88
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide

4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide (PubChem CID 59723637) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide
PubChem CID59723637
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C13H12BrNOS/c1-15(2)13(16)10-5-3-9(4-6-10)11-7-8-12(14)17-11/h3-8H,1-2H3
InChIKeyQUSZQTKCRWUCTP-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide 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

ethyl 4-(5-bromothiophen-2-yl)benzoate
CID 11630973
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide
CID 131984766
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
4-[5-[5-(4-carboxyphenyl)thiophen-2-yl]thiophen-2-yl]benzoic acid
CID 53472843
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
4-(5-bromothiophen-2-yl)-N-[3-hydroxy-4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]benzamide;ethane
CID 144791760
N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide
CID 11611285
N,N-dimethyl-4-(6-oxo-1H-pyridin-3-yl)benzamide
CID 53218069
4-arsoroso-N,N-dimethylbenzamide
CID 3027013

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide (CID 59723637) is 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccc(Br)s2)cc1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide?
The InChIKey is QUSZQTKCRWUCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-15(2)13(16)10-5-3-9(4-6-10)11-7-8-12(14)17-11/h3-8H,1-2H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide?
4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide has a molecular weight of 310.22 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 59723637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).