N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride

C7H7BrClNOS — CID 115194760

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
SMILESCN(Cc1ccc(Br)s1)C(=O)Cl
InChIInChI=1S/C7H7BrClNOS/c1-10(7(9)11)4-5-2-3-6(8)12-5/h2-3H,4H2,1H3
InChIKeyNCUDGBWITUDJBN-UHFFFAOYSA-N
MW268.56 g/mol
LogP3.30
Rot. Bonds2

About N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride

N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride (PubChem CID 115194760) has the molecular formula C7H7BrClNOS and a molecular weight of 268.56 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
PubChem CID115194760
Molecular FormulaC7H7BrClNOS
Molecular Weight268.56 g/mol
Exact Mass266.91
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
SMILESCN(Cc1ccc(Br)s1)C(=O)Cl
InChIInChI=1S/C7H7BrClNOS/c1-10(7(9)11)4-5-2-3-6(8)12-5/h2-3H,4H2,1H3
InChIKeyNCUDGBWITUDJBN-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.56
LogP ≤ 53.30
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

3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 115154691
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 27839407
N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
CID 115158927
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
methyl 5-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 47143664
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 78792233

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride (CID 115194760) is N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride is CN(Cc1ccc(Br)s1)C(=O)Cl.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride?
The InChIKey is NCUDGBWITUDJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNOS/c1-10(7(9)11)4-5-2-3-6(8)12-5/h2-3H,4H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride?
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride has a molecular weight of 268.56 g/mol, XLogP of 3.30, 2 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)methyl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 115194760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).