N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide

C10H12BrCl2NOS — CID 107966173

IUPACN-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCC(CCBr)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12BrCl2NOS/c1-6(2-3-11)5-14-10(15)7-4-8(12)16-9(7)13/h4,6H,2-3,5H2,1H3,(H,14,15)
InChIKeyZAERPDZWFXKCJN-UHFFFAOYSA-N
MW345.09 g/mol
LogP4.21
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide

N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107966173) has the molecular formula C10H12BrCl2NOS and a molecular weight of 345.09 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID107966173
Molecular FormulaC10H12BrCl2NOS
Molecular Weight345.09 g/mol
Exact Mass342.92
IUPAC NameN-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCC(CCBr)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12BrCl2NOS/c1-6(2-3-11)5-14-10(15)7-4-8(12)16-9(7)13/h4,6H,2-3,5H2,1H3,(H,14,15)
InChIKeyZAERPDZWFXKCJN-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.09
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide
CID 111447072
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
CID 114316716
2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
CID 103825906
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorothiophene-3-carboxamide
CID 103872680
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
4-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316945
N-(4-bromo-2-methylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 114316911
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide (CID 107966173) is N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide is CC(CCBr)CNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is ZAERPDZWFXKCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NOS/c1-6(2-3-11)5-14-10(15)7-4-8(12)16-9(7)13/h4,6H,2-3,5H2,1H3,(H,14,15).
What are the key properties of N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide?
N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 345.09 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107966173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).