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

C13H16ClNO — CID 62224597

IUPAC2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(C(Cl)C(=O)NC2CC2)c1
InChIInChI=1S/C13H16ClNO/c1-8-3-4-9(2)11(7-8)12(14)13(16)15-10-5-6-10/h3-4,7,10,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyUPFBGQPBKFCWBE-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.86
Rot. Bonds3

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

2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide (PubChem CID 62224597) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
PubChem CID62224597
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(C(Cl)C(=O)NC2CC2)c1
InChIInChI=1S/C13H16ClNO/c1-8-3-4-9(2)11(7-8)12(14)13(16)15-10-5-6-10/h3-4,7,10,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyUPFBGQPBKFCWBE-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.86
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-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide
CID 62224965
2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
CID 150440716
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide
CID 112516850
N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide
CID 78765452
1-(azepan-1-yl)-2-chloro-2-(2,5-dimethylphenyl)ethanone
CID 62224830
2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79584889
2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
CID 82024066
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851
2-chloro-N-cyclopentyl-2-(4-fluoro-3-methylphenyl)acetamide
CID 62224609
2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 55048150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide (CID 62224597) is 2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(C(Cl)C(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is UPFBGQPBKFCWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-8-3-4-9(2)11(7-8)12(14)13(16)15-10-5-6-10/h3-4,7,10,12H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide?
2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 237.73 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 62224597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).