2-chloro-N-(2-ethyl-6-methylphenyl)acetamide

C11H14ClNO — CID 670477

IUPAC2-chloro-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CCl
InChIInChI=1S/C11H14ClNO/c1-3-9-6-4-5-8(2)11(9)13-10(14)7-12/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeySMINYPCTNJDYGK-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide

2-chloro-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 670477) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID670477
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CCl
InChIInChI=1S/C11H14ClNO/c1-3-9-6-4-5-8(2)11(9)13-10(14)7-12/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeySMINYPCTNJDYGK-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide (CID 670477) is 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is SMINYPCTNJDYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-9-6-4-5-8(2)11(9)13-10(14)7-12/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide?
2-chloro-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 211.69 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 670477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).