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

C12H16ClN3O3 — CID 26506588

IUPAC2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O3/c1-19-7-6-14-12(18)16-11(17)8-15-10-4-2-9(13)3-5-10/h2-5,15H,6-8H2,1H3,(H2,14,16,17,18)
InChIKeyQWABAFWVTROEOO-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.22
Rot. Bonds6

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

2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 26506588) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID26506588
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O3/c1-19-7-6-14-12(18)16-11(17)8-15-10-4-2-9(13)3-5-10/h2-5,15H,6-8H2,1H3,(H2,14,16,17,18)
InChIKeyQWABAFWVTROEOO-UHFFFAOYSA-N
XLogP1.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 55917738
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506580
N-(2-methoxyethylcarbamoyl)-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616690
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
2-(3-ethynylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 31418252
2-methoxyethyl 2-(4-chloroanilino)acetate
CID 61302455
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 42125979
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 46575229

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide (CID 26506588) is 2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is QWABAFWVTROEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-19-7-6-14-12(18)16-11(17)8-15-10-4-2-9(13)3-5-10/h2-5,15H,6-8H2,1H3,(H2,14,16,17,18).
What are the key properties of 2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 285.73 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 26506588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).