2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide

C9H11Cl2NOS — CID 131062624

IUPAC2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Cl)c1ccsc1Cl
InChIInChI=1S/C9H11Cl2NOS/c1-5(2)12-9(13)7(10)6-3-4-14-8(6)11/h3-5,7H,1-2H3,(H,12,13)
InChIKeySKVVBOQGGXMEMS-UHFFFAOYSA-N
MW252.17 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide

2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide (PubChem CID 131062624) has the molecular formula C9H11Cl2NOS and a molecular weight of 252.17 g/mol. Its IUPAC name is 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide
PubChem CID131062624
Molecular FormulaC9H11Cl2NOS
Molecular Weight252.17 g/mol
Exact Mass250.99
IUPAC Name2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Cl)c1ccsc1Cl
InChIInChI=1S/C9H11Cl2NOS/c1-5(2)12-9(13)7(10)6-3-4-14-8(6)11/h3-5,7H,1-2H3,(H,12,13)
InChIKeySKVVBOQGGXMEMS-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 53.21
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 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide (CID 131062624) is 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)C(Cl)c1ccsc1Cl.
What is the InChIKey of 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide?
The InChIKey is SKVVBOQGGXMEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NOS/c1-5(2)12-9(13)7(10)6-3-4-14-8(6)11/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide?
2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide has a molecular weight of 252.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 131062624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).