N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide

C6H5Br2NOS — CID 115193397

IUPACN-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
SMILESCN(C(=O)Br)c1ccc(Br)s1
InChIInChI=1S/C6H5Br2NOS/c1-9(6(8)10)5-3-2-4(7)11-5/h2-3H,1H3
InChIKeyYGTGXBHMEFLKDM-UHFFFAOYSA-N
MW298.99 g/mol
LogP3.46
Rot. Bonds1

About N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide

N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide (PubChem CID 115193397) has the molecular formula C6H5Br2NOS and a molecular weight of 298.99 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
PubChem CID115193397
Molecular FormulaC6H5Br2NOS
Molecular Weight298.99 g/mol
Exact Mass296.85
IUPAC NameN-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
SMILESCN(C(=O)Br)c1ccc(Br)s1
InChIInChI=1S/C6H5Br2NOS/c1-9(6(8)10)5-3-2-4(7)11-5/h2-3H,1H3
InChIKeyYGTGXBHMEFLKDM-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.99
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150784
N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
CID 115173629
N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187232
methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128348
[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803
N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187675
N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide
CID 115160861
N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171678
ethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128742

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide?
The IUPAC name of N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide (CID 115193397) is N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide is CN(C(=O)Br)c1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide?
The InChIKey is YGTGXBHMEFLKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NOS/c1-9(6(8)10)5-3-2-4(7)11-5/h2-3H,1H3.
What are the key properties of N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide?
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide has a molecular weight of 298.99 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide is sourced from PubChem (CID 115193397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).