N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide

C11H14BrCl2NOS — CID 106169060

IUPACN-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESCCC(C)(CCBr)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14BrCl2NOS/c1-3-11(2,4-5-12)15-10(16)7-6-8(13)17-9(7)14/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyBOGBAHDBEFUBOC-UHFFFAOYSA-N
MW359.12 g/mol
LogP4.74
Rot. Bonds5

About N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide

N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 106169060) has the molecular formula C11H14BrCl2NOS and a molecular weight of 359.12 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID106169060
Molecular FormulaC11H14BrCl2NOS
Molecular Weight359.12 g/mol
Exact Mass356.94
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESCCC(C)(CCBr)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14BrCl2NOS/c1-3-11(2,4-5-12)15-10(16)7-6-8(13)17-9(7)14/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyBOGBAHDBEFUBOC-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.12
LogP ≤ 54.74
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

N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
CID 106169565
4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106168914
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-5-chlorobenzamide
CID 106169473
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
CID 106169560
1-(2,5-dichlorothiophen-3-yl)-2,2-dimethylbutan-1-one
CID 62677830
N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
CID 114153212
N-(1-bromo-3-methylpentan-3-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 106168814
N-(1-bromo-3-methylpentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 114153197
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
N-(1-bromo-3-methylpentan-3-yl)-2-nitrobenzamide
CID 106169348
N-(1-bromo-3-methylpentan-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 106168958

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide (CID 106169060) is N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide is CCC(C)(CCBr)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is BOGBAHDBEFUBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NOS/c1-3-11(2,4-5-12)15-10(16)7-6-8(13)17-9(7)14/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide?
N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 359.12 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 106169060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).