2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide

C10H13BrClNOS — CID 62224603

IUPAC2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide
SMILESCC(C)(C)NC(=O)C(Cl)c1cc(Br)cs1
InChIInChI=1S/C10H13BrClNOS/c1-10(2,3)13-9(14)8(12)7-4-6(11)5-15-7/h4-5,8H,1-3H3,(H,13,14)
InChIKeyIQFGNVSTXZPWAH-UHFFFAOYSA-N
MW310.64 g/mol
LogP3.71
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide

2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide (PubChem CID 62224603) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide
PubChem CID62224603
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC Name2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide
SMILESCC(C)(C)NC(=O)C(Cl)c1cc(Br)cs1
InChIInChI=1S/C10H13BrClNOS/c1-10(2,3)13-9(14)8(12)7-4-6(11)5-15-7/h4-5,8H,1-3H3,(H,13,14)
InChIKeyIQFGNVSTXZPWAH-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 53.71
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-(4-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
CID 55048105
2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide
CID 62226278
N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide
CID 130581494
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
2-(2-bromo-5-methoxyphenyl)-N-tert-butyl-2-chloroacetamide
CID 114078030
N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide
CID 55047578
2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
CID 54595909
4-(4-bromothiophen-2-yl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953738
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 43126681
[1-(4-bromothiophen-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105222605

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide (CID 62224603) is 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide is CC(C)(C)NC(=O)C(Cl)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide?
The InChIKey is IQFGNVSTXZPWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c1-10(2,3)13-9(14)8(12)7-4-6(11)5-15-7/h4-5,8H,1-3H3,(H,13,14).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide?
2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide has a molecular weight of 310.64 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide is sourced from PubChem (CID 62224603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).