2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide

C13H17F2N3O4 — CID 37480115

IUPAC2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1ccccc1OC(F)F
InChIInChI=1S/C13H17F2N3O4/c1-21-7-6-16-13(20)18-11(19)8-17-9-4-2-3-5-10(9)22-12(14)15/h2-5,12,17H,6-8H2,1H3,(H2,16,18,19,20)
InChIKeyAMVDQFWYPVJERE-UHFFFAOYSA-N
MW317.29 g/mol
LogP1.17
Rot. Bonds8

About 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide

2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 37480115) has the molecular formula C13H17F2N3O4 and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID37480115
Molecular FormulaC13H17F2N3O4
Molecular Weight317.29 g/mol
Exact Mass317.12
IUPAC Name2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1ccccc1OC(F)F
InChIInChI=1S/C13H17F2N3O4/c1-21-7-6-16-13(20)18-11(19)8-17-9-4-2-3-5-10(9)22-12(14)15/h2-5,12,17H,6-8H2,1H3,(H2,16,18,19,20)
InChIKeyAMVDQFWYPVJERE-UHFFFAOYSA-N
XLogP1.17
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(difluoromethoxy)anilino]-N-(ethylcarbamoyl)acetamide
CID 26525960
N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide
CID 43146653
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 42125979
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 18271470
2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 31669319
butyl 2-[2-(difluoromethoxy)anilino]acetate
CID 60679734
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
CID 51108580
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide (CID 37480115) is 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CNc1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is AMVDQFWYPVJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O4/c1-21-7-6-16-13(20)18-11(19)8-17-9-4-2-3-5-10(9)22-12(14)15/h2-5,12,17H,6-8H2,1H3,(H2,16,18,19,20).
What are the key properties of 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 317.29 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 37480115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).