2-chloro-N-(2,5-dimethylphenyl)acetamide

C10H12ClNO — CID 3383868

IUPAC2-chloro-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CCl)c1
InChIInChI=1S/C10H12ClNO/c1-7-3-4-8(2)9(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyHNZGXKCXAZJSSV-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.48
Rot. Bonds2

About 2-chloro-N-(2,5-dimethylphenyl)acetamide

2-chloro-N-(2,5-dimethylphenyl)acetamide (PubChem CID 3383868) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylphenyl)acetamide
PubChem CID3383868
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-chloro-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CCl)c1
InChIInChI=1S/C10H12ClNO/c1-7-3-4-8(2)9(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyHNZGXKCXAZJSSV-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.48
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-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylphenyl)acetamide (CID 3383868) is 2-chloro-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is HNZGXKCXAZJSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7-3-4-8(2)9(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(2,5-dimethylphenyl)acetamide?
2-chloro-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 197.66 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 3383868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).