5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide

C10H13BrClNO2S — CID 63397906

IUPAC5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
SMILESCOCC(Cl)CN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrClNO2S/c1-13(5-7(12)6-15-2)10(14)8-3-4-9(11)16-8/h3-4,7H,5-6H2,1-2H3
InChIKeyVCYKEZOVOMJADK-UHFFFAOYSA-N
MW326.64 g/mol
LogP2.84
Rot. Bonds5

About 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide

5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide (PubChem CID 63397906) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
PubChem CID63397906
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC Name5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
SMILESCOCC(Cl)CN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrClNO2S/c1-13(5-7(12)6-15-2)10(14)8-3-4-9(11)16-8/h3-4,7H,5-6H2,1-2H3
InChIKeyVCYKEZOVOMJADK-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide
CID 65309176
2-bromo-N-(2-chloro-3-methoxypropyl)-4-fluoro-N-methylbenzamide
CID 55186683
N-(2-chloro-3-methoxypropyl)-4-hydroxy-N-methylbenzamide
CID 63398005
5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
CID 81055207
N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
CID 63397918
N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide
CID 55186682
5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695665
N-(2-chloro-3-methoxypropyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63398167
5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 61073233
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187
N-(2-chloro-3-methoxypropyl)-N-methyl-3-methylsulfonylbenzamide
CID 63398083

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide (CID 63397906) is 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide is COCC(Cl)CN(C)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
The InChIKey is VCYKEZOVOMJADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-13(5-7(12)6-15-2)10(14)8-3-4-9(11)16-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide has a molecular weight of 326.64 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 63397906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).