2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide

C13H18ClN3O3 — CID 26507186

IUPAC2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C13H18ClN3O3/c1-9-7-10(14)3-4-11(9)16-8-12(18)17-13(19)15-5-6-20-2/h3-4,7,16H,5-6,8H2,1-2H3,(H2,15,17,18,19)
InChIKeyQJDJSONKMPQJQD-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.53
Rot. Bonds6

About 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide

2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 26507186) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID26507186
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C13H18ClN3O3/c1-9-7-10(14)3-4-11(9)16-8-12(18)17-13(19)15-5-6-20-2/h3-4,7,16H,5-6,8H2,1-2H3,(H2,15,17,18,19)
InChIKeyQJDJSONKMPQJQD-UHFFFAOYSA-N
XLogP1.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.53
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-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 42125979
2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 17461797
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 55917738
2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide
CID 60602911
2-(4-chloro-2-methylanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 26507119
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide (CID 26507186) is 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CNc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is QJDJSONKMPQJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-9-7-10(14)3-4-11(9)16-8-12(18)17-13(19)15-5-6-20-2/h3-4,7,16H,5-6,8H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 26507186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).