2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide

C11H15ClN2O2 — CID 39347241

IUPAC2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c1-16-7-6-13-11(15)8-14-10-4-2-9(12)3-5-10/h2-5,14H,6-8H2,1H3,(H,13,15)
InChIKeyJBQUXSHSYNMLCA-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.51
Rot. Bonds6

About 2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide

2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 39347241) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
PubChem CID39347241
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c1-16-7-6-13-11(15)8-14-10-4-2-9(12)3-5-10/h2-5,14H,6-8H2,1H3,(H,13,15)
InChIKeyJBQUXSHSYNMLCA-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-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797
N-[4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830793
2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39385075
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
N,N-diethyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54833942
2-methoxyethyl 2-(4-chloroanilino)acetate
CID 61302455
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54831987

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide (CID 39347241) is 2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is JBQUXSHSYNMLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-7-6-13-11(15)8-14-10-4-2-9(12)3-5-10/h2-5,14H,6-8H2,1H3,(H,13,15).
What are the key properties of 2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide?
2-(4-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-(4-chloroanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 39347241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).