2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide

C14H17F4N3O4 — CID 18271470

IUPAC2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H17F4N3O4/c1-24-5-4-19-13(23)21-12(22)7-20-10-6-9(15)2-3-11(10)25-8-14(16,17)18/h2-3,6,20H,4-5,7-8H2,1H3,(H2,19,21,22,23)
InChIKeyNNZAVPYYELMXII-UHFFFAOYSA-N
MW367.30 g/mol
LogP1.65
Rot. Bonds8

About 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide

2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 18271470) has the molecular formula C14H17F4N3O4 and a molecular weight of 367.30 g/mol. Its IUPAC name is 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID18271470
Molecular FormulaC14H17F4N3O4
Molecular Weight367.30 g/mol
Exact Mass367.12
IUPAC Name2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H17F4N3O4/c1-24-5-4-19-13(23)21-12(22)7-20-10-6-9(15)2-3-11(10)25-8-14(16,17)18/h2-3,6,20H,4-5,7-8H2,1H3,(H2,19,21,22,23)
InChIKeyNNZAVPYYELMXII-UHFFFAOYSA-N
XLogP1.65
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 51.65
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

N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358
N-(4-fluorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656321
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
N-(2,6-dimethylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 18288908
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 42125979
2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 37480115
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 24656372
2-(2,5-diethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 60693732
N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 18280401
2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 16568291
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide (CID 18271470) is 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CNc1cc(F)ccc1OCC(F)(F)F.
What is the InChIKey of 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is NNZAVPYYELMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3O4/c1-24-5-4-19-13(23)21-12(22)7-20-10-6-9(15)2-3-11(10)25-8-14(16,17)18/h2-3,6,20H,4-5,7-8H2,1H3,(H2,19,21,22,23).
What are the key properties of 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 367.30 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 18271470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).