2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide

C16H17FN2O — CID 28584361

IUPAC2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
SMILESCCc1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O/c1-2-12-6-5-7-13(10-12)18-11-16(20)19-15-9-4-3-8-14(15)17/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyXGGDMBIAZRBBPL-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.44
Rot. Bonds5

About 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide

2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide (PubChem CID 28584361) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
PubChem CID28584361
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
SMILESCCc1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O/c1-2-12-6-5-7-13(10-12)18-11-16(20)19-15-9-4-3-8-14(15)17/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyXGGDMBIAZRBBPL-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide (CID 28584361) is 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide is CCc1cccc(NCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide?
The InChIKey is XGGDMBIAZRBBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-12-6-5-7-13(10-12)18-11-16(20)19-15-9-4-3-8-14(15)17/h3-10,18H,2,11H2,1H3,(H,19,20).
What are the key properties of 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide?
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide has a molecular weight of 272.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 28584361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).