2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide

C12H17ClN2O2 — CID 54819230

IUPAC2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O2/c1-9-3-4-10(13)7-11(9)15-8-12(16)14-5-6-17-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyMWBBSAHVMWPKOK-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.82
Rot. Bonds6

About 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide

2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 54819230) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
PubChem CID54819230
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O2/c1-9-3-4-10(13)7-11(9)15-8-12(16)14-5-6-17-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyMWBBSAHVMWPKOK-UHFFFAOYSA-N
XLogP1.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.82
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-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 26439038
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
methyl 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104322
2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
CID 114254580
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide (CID 54819230) is 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1cc(Cl)ccc1C.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is MWBBSAHVMWPKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9-3-4-10(13)7-11(9)15-8-12(16)14-5-6-17-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide?
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 256.73 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54819230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).