2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide

C13H18ClNO — CID 62224768

IUPAC2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1cc(C)cc(C)c1
InChIInChI=1S/C13H18ClNO/c1-4-5-15-13(16)12(14)11-7-9(2)6-10(3)8-11/h6-8,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyDSXSJYZGATYPPU-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide

2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide (PubChem CID 62224768) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide
PubChem CID62224768
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1cc(C)cc(C)c1
InChIInChI=1S/C13H18ClNO/c1-4-5-15-13(16)12(14)11-7-9(2)6-10(3)8-11/h6-8,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyDSXSJYZGATYPPU-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide
CID 62226439
2-chloro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propylacetamide
CID 115350528
2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
CID 62224047
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
CID 106818458
2-chloro-2-(1-methylpyrazol-4-yl)-N-propylacetamide
CID 62226071
2-chloro-2-(2-methylphenyl)-N-propylacetamide
CID 62224578
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide
CID 62226069
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide?
The IUPAC name of 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide (CID 62224768) is 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide?
The canonical SMILES for 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide is CCCNC(=O)C(Cl)c1cc(C)cc(C)c1.
What is the InChIKey of 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide?
The InChIKey is DSXSJYZGATYPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-5-15-13(16)12(14)11-7-9(2)6-10(3)8-11/h6-8,12H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide?
2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide has a molecular weight of 239.75 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide is sourced from PubChem (CID 62224768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).