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

C7H7BrClNOS — CID 163431726

IUPACN-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1sc(Br)cc1Cl
InChIInChI=1S/C7H7BrClNOS/c1-4(11)10-3-6-5(9)2-7(8)12-6/h2H,3H2,1H3,(H,10,11)
InChIKeyARBIGPYPXNGCMW-UHFFFAOYSA-N
MW268.56 g/mol
LogP2.80
Rot. Bonds2

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

N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide (PubChem CID 163431726) has the molecular formula C7H7BrClNOS and a molecular weight of 268.56 g/mol. Its IUPAC name is N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide
PubChem CID163431726
Molecular FormulaC7H7BrClNOS
Molecular Weight268.56 g/mol
Exact Mass266.91
IUPAC NameN-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1sc(Br)cc1Cl
InChIInChI=1S/C7H7BrClNOS/c1-4(11)10-3-6-5(9)2-7(8)12-6/h2H,3H2,1H3,(H,10,11)
InChIKeyARBIGPYPXNGCMW-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide (CID 163431726) is N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide is CC(=O)NCc1sc(Br)cc1Cl.
What is the InChIKey of N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide?
The InChIKey is ARBIGPYPXNGCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNOS/c1-4(11)10-3-6-5(9)2-7(8)12-6/h2H,3H2,1H3,(H,10,11).
What are the key properties of N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide?
N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide has a molecular weight of 268.56 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 163431726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).