N-(4-bromothiophen-3-yl)-2-chloroacetamide

C6H5BrClNOS — CID 166409195

IUPACN-(4-bromothiophen-3-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1cscc1Br
InChIInChI=1S/C6H5BrClNOS/c7-4-2-11-3-5(4)9-6(10)1-8/h2-3H,1H2,(H,9,10)
InChIKeyOTBHMKZTWQBMSM-UHFFFAOYSA-N
MW254.54 g/mol
LogP2.69
Rot. Bonds2

About N-(4-bromothiophen-3-yl)-2-chloroacetamide

N-(4-bromothiophen-3-yl)-2-chloroacetamide (PubChem CID 166409195) has the molecular formula C6H5BrClNOS and a molecular weight of 254.54 g/mol. Its IUPAC name is N-(4-bromothiophen-3-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(4-bromothiophen-3-yl)-2-chloroacetamide
PubChem CID166409195
Molecular FormulaC6H5BrClNOS
Molecular Weight254.54 g/mol
Exact Mass252.90
IUPAC NameN-(4-bromothiophen-3-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1cscc1Br
InChIInChI=1S/C6H5BrClNOS/c7-4-2-11-3-5(4)9-6(10)1-8/h2-3H,1H2,(H,9,10)
InChIKeyOTBHMKZTWQBMSM-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromothiophen-3-yl)-2-chloroacetamide?
The IUPAC name of N-(4-bromothiophen-3-yl)-2-chloroacetamide (CID 166409195) is N-(4-bromothiophen-3-yl)-2-chloroacetamide.
What is the SMILES notation for N-(4-bromothiophen-3-yl)-2-chloroacetamide?
The canonical SMILES for N-(4-bromothiophen-3-yl)-2-chloroacetamide is O=C(CCl)Nc1cscc1Br.
What is the InChIKey of N-(4-bromothiophen-3-yl)-2-chloroacetamide?
The InChIKey is OTBHMKZTWQBMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNOS/c7-4-2-11-3-5(4)9-6(10)1-8/h2-3H,1H2,(H,9,10).
What are the key properties of N-(4-bromothiophen-3-yl)-2-chloroacetamide?
N-(4-bromothiophen-3-yl)-2-chloroacetamide has a molecular weight of 254.54 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromothiophen-3-yl)-2-chloroacetamide is sourced from PubChem (CID 166409195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).