2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide

C7H6BrCl2NOS — CID 130671918

IUPAC2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide
SMILESO=C(CBr)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H6BrCl2NOS/c8-2-6(12)11-3-4-1-5(9)13-7(4)10/h1H,2-3H2,(H,11,12)
InChIKeyPHDWBTGGPUYYJK-UHFFFAOYSA-N
MW303.01 g/mol
LogP3.07
Rot. Bonds3

About 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide

2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide (PubChem CID 130671918) has the molecular formula C7H6BrCl2NOS and a molecular weight of 303.01 g/mol. Its IUPAC name is 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide
PubChem CID130671918
Molecular FormulaC7H6BrCl2NOS
Molecular Weight303.01 g/mol
Exact Mass300.87
IUPAC Name2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide
SMILESO=C(CBr)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H6BrCl2NOS/c8-2-6(12)11-3-4-1-5(9)13-7(4)10/h1H,2-3H2,(H,11,12)
InChIKeyPHDWBTGGPUYYJK-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.01
LogP ≤ 53.07
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-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
CID 130682625
N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
CID 131048910
methyl 5-chloro-4-[[(2-chloroacetyl)amino]methyl]thiophene-2-carboxylate
CID 166414711
(2,5-dichlorothiophen-3-yl)methylhydrazine;hydrochloride
CID 154577383
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973815
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973813
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
CID 68973814
2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
CID 107961535
2,5-dichloro-N-[[2-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694446
methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate
CID 21283503

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide?
The IUPAC name of 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide (CID 130671918) is 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide is O=C(CBr)NCc1cc(Cl)sc1Cl.
What is the InChIKey of 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide?
The InChIKey is PHDWBTGGPUYYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2NOS/c8-2-6(12)11-3-4-1-5(9)13-7(4)10/h1H,2-3H2,(H,11,12).
What are the key properties of 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide?
2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide has a molecular weight of 303.01 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide is sourced from PubChem (CID 130671918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).