2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide

C8H7ClN2OS — CID 11378905

IUPAC2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide
SMILESN#CC(NC(=O)CCl)c1cccs1
InChIInChI=1S/C8H7ClN2OS/c9-4-8(12)11-6(5-10)7-2-1-3-13-7/h1-3,6H,4H2,(H,11,12)
InChIKeyNZZNBPIJOFMALQ-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.67
Rot. Bonds3

About 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide

2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide (PubChem CID 11378905) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide
PubChem CID11378905
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide
SMILESN#CC(NC(=O)CCl)c1cccs1
InChIInChI=1S/C8H7ClN2OS/c9-4-8(12)11-6(5-10)7-2-1-3-13-7/h1-3,6H,4H2,(H,11,12)
InChIKeyNZZNBPIJOFMALQ-UHFFFAOYSA-N
XLogP1.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide (CID 11378905) is 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide is N#CC(NC(=O)CCl)c1cccs1.
What is the InChIKey of 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide?
The InChIKey is NZZNBPIJOFMALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c9-4-8(12)11-6(5-10)7-2-1-3-13-7/h1-3,6H,4H2,(H,11,12).
What are the key properties of 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide?
2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide has a molecular weight of 214.68 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyano(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 11378905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).