2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide

C11H15ClN2O2 — CID 39347237

IUPAC2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-16-6-5-13-11(15)8-14-10-4-2-3-9(12)7-10/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyRHFHXJDMYKWVJN-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.51
Rot. Bonds6

About 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide

2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 39347237) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
PubChem CID39347237
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-16-6-5-13-11(15)8-14-10-4-2-3-9(12)7-10/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyRHFHXJDMYKWVJN-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide
CID 113218646
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
1-(3-chloroanilino)propan-2-one
CID 21364413
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide (CID 39347237) is 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is RHFHXJDMYKWVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-6-5-13-11(15)8-14-10-4-2-3-9(12)7-10/h2-4,7,14H,5-6,8H2,1H3,(H,13,15).
What are the key properties of 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide?
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 242.71 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 39347237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).