2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide

C13H18ClNO — CID 115161925

IUPAC2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1ccc(C(C)C)cc1N(C)C(=O)CCl
InChIInChI=1S/C13H18ClNO/c1-9(2)11-6-5-10(3)12(7-11)15(4)13(16)8-14/h5-7,9H,8H2,1-4H3
InChIKeySPLKVBVVNGLUPK-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide

2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide (PubChem CID 115161925) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
PubChem CID115161925
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1ccc(C(C)C)cc1N(C)C(=O)CCl
InChIInChI=1S/C13H18ClNO/c1-9(2)11-6-5-10(3)12(7-11)15(4)13(16)8-14/h5-7,9H,8H2,1-4H3
InChIKeySPLKVBVVNGLUPK-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide
CID 115176806
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115180425
2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115179748
3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115162579
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide
CID 82080926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide (CID 115161925) is 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide is Cc1ccc(C(C)C)cc1N(C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide?
The InChIKey is SPLKVBVVNGLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(2)11-6-5-10(3)12(7-11)15(4)13(16)8-14/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide?
2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide has a molecular weight of 239.75 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 115161925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).